data_2fvf_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 2fvf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.524 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.424 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -79.73 171.16 15.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.243 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -29.64 69.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.73 -51.04 64.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.807 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -59.18 -41.04 87.51 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.878 0.37 . . . . 1.0 110.582 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.419 HG21 HD12 ' A' ' 6' ' ' ILE . 92.6 mt -61.14 -41.69 90.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.223 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.46 -41.15 93.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.599 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -63.08 -47.79 81.38 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.981 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.45 -45.99 91.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.793 0.33 . . . . 1.0 110.201 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.5 p -61.85 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 1.0 110.525 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.13 -44.53 96.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.786 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.04 -44.01 81.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.161 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.64 -55.63 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -53.71 -35.39 61.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.7 mm-40 -72.97 -39.25 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.903 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HA ' ' HZ3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -67.41 -37.75 83.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.732 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.99 -12.36 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.479 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.47 -161.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 1.0 110.32 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 10.3 mp -80.93 -22.94 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.824 0.345 . . . . 1.0 110.276 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.97 -6.88 79.89 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.65 -42.43 14.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 1.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -101.65 11.91 38.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.3 t -123.47 133.29 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 1.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.26 126.19 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.055 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.89 137.96 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -138.23 163.17 32.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.75 -15.63 61.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.814 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -100.32 -7.95 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -76.56 129.17 36.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 110.828 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.21 147.3 29.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.617 . . . . 1.0 110.396 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -60.61 -42.44 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.735 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.7 m -59.79 -40.9 89.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.753 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.14 -37.47 85.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.964 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.02 -21.29 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.396 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.56 -2.21 34.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.308 -0.717 . . . . 1.0 111.308 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.86 108.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.054 0.454 . . . . 1.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -92.05 -176.03 4.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.195 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.66 -45.28 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.651 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -66.44 -35.45 80.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 1.0 110.322 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -80.06 -51.6 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.045 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -48.17 -43.84 31.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.829 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.86 -32.68 59.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 1.0 109.839 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.63 -33.74 71.33 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.317 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.8 -50.91 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.179 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.93 -34.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.32 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 tpp -60.0 -48.49 81.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.238 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -65.79 -42.35 90.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.021 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.11 -42.18 96.98 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.89 -39.61 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.016 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.56 -40.98 63.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.22 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -71.05 -41.77 70.32 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 1.0 110.915 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -90.39 -6.95 54.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.18 48.11 87.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.516 -0.634 . . . . 1.0 111.516 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.87 -174.22 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.905 0.383 . . . . 1.0 110.756 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -148.11 124.04 10.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.304 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.02 137.73 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.985 0.421 . . . . 1.0 110.531 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -79.3 153.19 30.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.531 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.0 -34.59 78.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.581 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -60.29 -44.46 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' A' ' 62' ' ' GLN . 28.7 mtmm -66.12 -40.81 90.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.555 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.48 24.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.526 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.93 -32.84 40.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.718 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.38 -8.52 40.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.642 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.41 HD11 HG23 ' A' ' 64' ' ' ILE . 32.3 mm -71.74 130.09 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.649 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -130.2 -30.64 1.94 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.489 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.9 p -128.68 174.87 9.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.003 0.43 . . . . 1.0 110.362 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.8 mm -61.51 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.915 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.637 HE21 ' C ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -64.55 -33.09 75.11 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.126 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.588 ' N ' ' NE2' ' A' ' 68' ' ' GLN . 44.6 mm-40 -53.23 -45.91 68.92 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 119.844 -0.743 . . . . 1.0 109.128 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.7 81.76 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.946 -0.761 . . . . 1.0 108.946 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.93 82.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.287 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 98.1 m-20 -61.9 -42.68 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.781 0.324 . . . . 1.0 111.162 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.3 t -63.55 -43.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.596 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.0 -46.7 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.613 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.89 -36.52 65.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.975 0.417 . . . . 1.0 110.469 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.45 98.88 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.054 -0.818 . . . . 1.0 111.054 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -40.9 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.673 0.273 . . . . 1.0 110.645 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.076 -179.635 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 166.89 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.171 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.578 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.13 -43.3 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.585 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.9 m -61.25 -44.69 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.562 ' CD1' HE21 ' A' ' 68' ' ' GLN . 56.0 mt -61.94 -43.62 97.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.239 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -63.45 -51.6 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.184 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.6 -46.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.608 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 11' ' ' ASP . 78.2 p -59.37 -42.83 92.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.85 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.443 ' N ' ' HG ' ' A' ' 10' ' ' SER . 30.9 t70 -59.95 -46.21 90.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.08 0.467 . . . . 1.0 110.953 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -43.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.7 t -58.56 -55.07 25.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.376 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ALA . 2.2 pttm -64.15 -29.62 70.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 123.547 0.53 . . . . 1.0 110.487 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.1 tt0 -62.32 -39.7 93.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.244 0.545 . . . . 1.0 110.384 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 10.1 mtpp -75.29 -32.7 61.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.112 0.482 . . . . 1.0 110.61 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 mt -95.46 -6.73 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.79 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -174.25 -167.68 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.563 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.5 mm? -86.0 -23.5 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.8 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.86 7.64 86.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.11 -62.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 1.0 110.575 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -91.7 14.07 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.541 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -113.25 133.3 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 1.0 110.272 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.9 133.73 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.09 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.6 t -116.43 141.08 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.756 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -135.1 155.56 50.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.435 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -26.48 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.89 -7.05 57.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 p -72.71 134.95 45.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.939 0.4 . . . . 1.0 110.577 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -93.97 143.41 26.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.327 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -55.06 -31.16 60.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.726 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -59.03 -46.06 89.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.763 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 10.8 mptt -63.36 -37.1 85.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.689 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.1 -18.36 65.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.406 0.441 . . . . 1.0 110.32 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.29 44.27 5.05 Favored Glycine 0 N--CA 1.461 0.33 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.62 107.2 19.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 1.0 110.291 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' O ' ' OG1' ' A' ' 41' ' ' THR . 97.6 m-20 -90.32 -179.02 5.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.46 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.29 -44.84 92.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.13 -39.61 82.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.605 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.403 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 14.7 m-20 -74.29 -49.43 23.11 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 37' ' ' ASP . 8.0 p -48.54 -39.33 23.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.434 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.568 ' O ' ' SD ' ' A' ' 46' ' ' MET . 41.5 t -64.14 -47.1 91.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.301 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 93.6 mt-10 -55.87 -30.94 62.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 1.0 110.51 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.36 -42.62 87.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.81 -55.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.298 -178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.568 ' SD ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -61.68 -38.85 89.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.1 m-80 -62.95 -50.08 72.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.8 -43.72 71.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.753 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.22 -37.57 77.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -74.51 -35.82 63.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -66.27 -44.1 84.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.75 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -98.31 -0.45 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.57 53.7 27.73 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.3 pt -123.02 162.56 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 1.0 110.497 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -123.47 122.0 37.13 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.418 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.94 141.53 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.67 143.27 40.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.608 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -66.86 -32.18 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.58 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.49 -29.29 69.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.526 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -82.0 -14.38 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.644 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.25 16.17 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.55 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -71.53 -37.6 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.799 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.61 -2.73 5.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.43 HD11 HG21 ' A' ' 64' ' ' ILE . 51.4 mm -75.64 128.12 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.703 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -129.5 -40.99 1.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -123.72 176.78 6.05 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.919 0.39 . . . . 1.0 110.441 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 67' ' ' ILE . 43.9 mm -60.39 -46.65 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.562 HE21 ' CD1' ' A' ' 6' ' ' ILE . 3.0 mm-40 -54.79 -40.59 69.62 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.577 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -58.64 -46.27 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.166 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.88 90.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.521 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.97 85.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.45 -40.33 94.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.008 0.432 . . . . 1.0 110.525 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 82.0 t -74.36 -44.68 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.649 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.406 HG21 HD12 ' A' ' 74' ' ' ILE . 97.5 mt -64.89 -53.91 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.228 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.09 -36.89 66.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.493 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.07 98.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.14 -39.38 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.94 0.4 . . . . 1.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.613 -179.378 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.484 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -73.74 164.53 26.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 1.0 109.922 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -65.53 -14.26 60.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.52 -0.764 . . . . 1.0 110.686 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -77.88 -46.66 20.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.616 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m -60.95 -40.85 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.63 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.75 -42.01 87.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.251 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.23 -41.44 96.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -62.33 -48.63 78.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.37 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.26 -46.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -62.93 -36.16 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 1.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.22 -43.5 97.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.647 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.47 -42.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 1.0 110.848 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.82 -49.94 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.438 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -63.8 -31.92 73.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 1.0 110.662 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.9 tp10 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.847 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -34.74 69.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.505 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.8 mt -88.13 -7.38 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.026 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.59 -176.02 0.13 Allowed 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 120.918 0.39 . . . . 1.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.4 mm? -76.35 -22.92 54.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.587 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 -14.57 62.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.09 -49.76 54.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 1.0 110.704 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -100.64 6.67 44.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.78 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.195 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -122.15 132.39 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.88 136.15 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.176 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -130.72 162.94 28.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.511 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.5 66.14 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 57.9 t0 -86.28 -16.95 35.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.642 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -71.59 141.64 50.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.636 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -100.11 141.89 32.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.241 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -49.97 -41.39 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.696 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.96 -41.61 96.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.08 -37.8 86.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.804 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.64 -21.65 66.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.589 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.83 6.13 37.9 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 108.57 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' A' ' 38' ' ' SER . 32.2 t70 -91.42 -176.33 4.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.586 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -63.13 -39.64 95.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.634 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 mt -63.58 -40.79 97.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.606 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.2 -34.53 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.757 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 37' ' ' ASP . 99.2 m -45.39 -40.51 8.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.8 -178.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 p -66.91 -35.99 76.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 1.0 110.625 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.519 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 96.1 mt-10 -68.25 -37.67 80.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.7 mm -62.76 -48.7 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.71 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.85 -44.33 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.636 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.7 ttm -58.16 -45.91 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.774 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 3.1 m-80 -63.52 -44.01 95.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.891 0.377 . . . . 1.0 110.698 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 mt -66.04 -42.02 90.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.037 0.446 . . . . 1.0 110.857 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -57.91 -40.21 79.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.72 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -72.35 -39.23 68.26 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -67.83 -45.78 73.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.886 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -90.87 -5.22 55.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.561 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.97 52.44 46.72 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 pt -126.3 -172.41 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 1.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -151.67 112.13 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.412 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.16 138.78 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.592 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -76.7 146.59 37.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -62.97 -34.64 77.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.439 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 96.3 m-20 -61.68 -40.86 96.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.487 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.4 mtpm? -66.3 -41.4 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.879 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.53 26.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.028 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.494 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.91 -28.57 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.716 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -75.67 -2.77 31.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.571 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.1 mm -77.26 129.07 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 32.2 t -129.77 -27.35 2.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.8 p -133.62 173.76 11.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.529 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.9 mm -61.88 -44.0 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.368 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -55.65 -47.0 77.4 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.745 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.534 ' OE1' ' N ' ' A' ' 65' ' ' SER . 80.7 mt-30 -55.78 -41.81 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.093 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.74 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.71 86.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.771 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.53 -42.91 99.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.1 t -69.63 -44.5 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.583 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.27 -60.7 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.264 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.79 -31.07 25.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.662 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.66 -32.35 83.17 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.75 -0.94 . . . . 1.0 110.75 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.81 -39.06 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 1.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.922 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 168.67 19.21 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.318 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -61.93 -29.84 70.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -67.49 -49.89 61.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.532 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 m -60.34 -42.77 96.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.771 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.89 -39.69 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.102 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -60.74 -43.4 97.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.479 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -60.78 -52.4 65.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.75 -45.29 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.396 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 t -61.66 -41.14 97.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -60.27 -43.85 95.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.579 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -42.83 78.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 1.0 110.595 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.98 -50.68 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.21 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.0 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.617 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.4 mt-10 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.667 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.0 mmmt -71.35 -36.08 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.125 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.76 -14.26 42.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.854 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.7 -157.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 1.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -84.78 -17.93 36.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.47 -22.77 33.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.6 -39.22 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 1.0 110.607 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 48.1 t0 -84.83 -3.57 58.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.496 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.1 151.19 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.39 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -121.74 127.96 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.097 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.0 t -116.5 134.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.608 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -136.14 163.18 30.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.609 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.32 63.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 51.1 t0 -88.42 -17.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.607 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 p -71.65 143.32 49.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.607 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.99 145.85 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.375 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -53.64 -42.71 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.768 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.4 m -61.61 -41.87 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.39 -38.24 88.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.893 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.96 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.68 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.33 -9.17 30.9 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.99 109.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 1.0 110.533 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.2 t0 -91.84 -171.51 2.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.954 0.406 . . . . 1.0 110.504 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.59 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -62.96 -40.17 96.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.505 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' OE1' ' A' ' 43' ' ' GLU . 5.3 mp -69.11 -40.34 78.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.03 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.46 -42.76 67.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.278 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -45.88 -32.25 2.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.513 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 t -67.16 -43.19 88.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.187 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 14.0 mp0 -68.31 -36.95 80.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -62.99 -52.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.029 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.9 p -67.95 -42.38 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.6 ttm -59.0 -45.09 91.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.518 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -65.76 -43.27 89.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.1 -43.26 95.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.743 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.07 -37.5 80.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.826 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -74.93 -36.77 62.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.83 -44.33 85.89 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.595 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -97.76 -2.59 40.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.617 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.11 52.8 44.57 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.0 pt -125.45 152.55 32.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.76 0.314 . . . . 1.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -111.23 114.29 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.583 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.58 132.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.567 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -81.29 142.52 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.465 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -60.82 -26.78 67.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.74 -40.26 91.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.363 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.63 -13.0 58.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.42 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.92 7.96 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.627 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -69.51 -39.81 77.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.955 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 53.6 t0 -65.06 -7.91 14.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.0 mm -79.8 130.76 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.72 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.54 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 16.5 m -139.03 -24.2 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.525 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.8 p -132.94 171.48 13.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.516 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.4 mm -60.94 -43.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.629 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -56.08 -47.0 78.82 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.765 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.54 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -57.38 -42.09 81.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.071 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.9 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.36 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.62 71.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 1.0 110.704 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.5 -38.32 86.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.536 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.2 t -76.48 -45.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.74 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.76 -55.59 22.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.041 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.8 pp20? -48.68 -36.34 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.565 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.444 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.38 -40.96 98.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.67 -42.58 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.635 0.255 . . . . 1.0 110.722 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 9.6 mp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.433 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.057 -0.72 . . . . 1.0 109.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 159.31 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.902 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.53 -16.68 61.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.462 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.401 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 9.3 tm-20 -75.16 -44.84 44.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 1.0 110.661 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.605 ' CD1' HE21 ' A' ' 68' ' ' GLN . 57.1 mt -60.38 -42.9 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.159 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.42 -39.99 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.489 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -63.92 -53.02 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 1.0 111.263 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.52 -44.79 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.242 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.3 p -59.57 -40.51 87.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 1.0 110.576 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.19 -43.18 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.333 0.587 . . . . 1.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.9 mt -68.66 -41.96 82.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.371 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.04 -54.69 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.088 -0.505 . . . . 1.0 112.044 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -58.64 -37.13 75.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.936 0.398 . . . . 1.0 110.732 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' ALA . 93.7 mt-10 -72.13 -35.69 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.653 ' HZ3' ' ND2' ' A' ' 47' ' ' ASN . 17.7 mmmt -71.83 -35.66 69.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.541 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -89.12 -12.54 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.011 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.52 -162.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 1.0 110.493 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.9 mt -77.51 -23.02 50.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.615 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.85 -23.18 37.12 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.16 -29.18 17.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.753 0.311 . . . . 1.0 110.808 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.17 -1.19 57.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.97 152.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -127.4 126.35 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.052 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 p -119.26 140.9 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.246 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -133.63 161.9 33.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.522 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.39 -23.55 49.93 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.174 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -94.97 -9.04 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.792 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 t -74.2 137.7 43.26 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.781 0.324 . . . . 1.0 110.461 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -90.55 147.7 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -59.72 -39.85 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.571 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.56 -37.07 84.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.739 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -63.03 -39.99 96.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.59 -16.2 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.295 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.42 -1.39 37.16 Favored Glycine 0 N--CA 1.464 0.556 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.904 -0.318 . . . . 1.0 110.329 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.585 ' CG ' ' H ' ' A' ' 38' ' ' SER . 42.4 t0 -94.4 -172.84 2.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.079 0.466 . . . . 1.0 110.473 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.585 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.13 -31.72 71.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.9 m-20 -81.75 -47.63 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.996 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 p -45.65 -40.75 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.045 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.83 -33.95 58.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.303 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ASP . 94.4 mt-10 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.675 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.29 -46.43 95.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.573 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.6 -43.57 83.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.17 -47.28 78.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.802 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.653 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 1.5 m-80 -64.07 -42.84 96.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.713 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.1 -42.18 94.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.843 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -58.42 -39.86 80.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.726 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -75.2 -36.11 61.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 14.0 tm-20 -65.97 -44.7 84.19 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.098 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.454 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 96.5 m-85 -98.54 -5.81 31.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.498 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 45.68 95.29 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.255 -0.738 . . . . 1.0 111.255 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.05 -168.13 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.82 0.343 . . . . 1.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.27 124.7 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.2 131.34 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 54.8 t0 -78.68 150.65 32.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 98.4 mt-10 -62.44 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.09 -41.61 99.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.785 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.9 mttp -66.39 -39.27 88.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.745 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.51 23.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 1.0 111.145 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 60' ' ' LYS . 83.9 mm-40 -82.94 -31.07 27.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.14 1.08 29.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.704 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 HG23 HD13 ' A' ' 64' ' ' ILE . 48.7 mm -85.95 126.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.04 0.447 . . . . 1.0 110.515 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.525 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 3.1 m -133.2 -17.91 2.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.279 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 23.2 p -137.76 168.75 19.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.926 0.393 . . . . 1.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.0 mm -61.84 -43.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.596 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.605 HE21 ' CD1' ' A' ' 6' ' ' ILE . 2.2 mm-40 -56.28 -44.33 79.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 66' ' ' THR . 86.2 mt-30 -58.71 -40.96 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.83 94.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.6 78.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -61.95 -41.33 97.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.7 t -73.13 -44.38 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.613 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.5 -58.71 6.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.44 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.0 -31.53 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.61 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -42.3 99.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.0 -41.39 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 1.0 110.729 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 9.7 mp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.441 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.454 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.493 ' H ' ' CD ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -75.96 166.97 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.059 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.696 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.627 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.452 ' OG1' ' OE2' ' A' ' 75' ' ' GLU . 96.3 m -60.9 -45.76 93.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 1.0 110.887 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.87 -36.14 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.5 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -64.02 -39.33 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.621 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -65.45 -52.41 53.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.04 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 t -65.71 -46.31 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.654 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.7 p -60.99 -38.09 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.677 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -62.88 -43.73 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.469 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.8 -43.53 69.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.858 0.361 . . . . 1.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.74 -51.4 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.421 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -64.29 -32.68 74.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.935 0.398 . . . . 1.0 110.775 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' A' ' 18' ' ' ALA . 49.4 tp10 -73.74 -39.55 64.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.743 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -32.98 65.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.411 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -93.78 -0.8 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.001 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 175.62 -172.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.515 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 10.5 mp -72.43 -24.59 61.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.446 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.14 -22.63 38.61 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.22 15.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.701 0.286 . . . . 1.0 110.769 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -96.1 8.4 43.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.731 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.38 151.02 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.36 121.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.105 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 p -117.66 136.38 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' OG ' ' A' ' 29' ' ' SER . 1.3 p -139.68 159.34 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.07 60.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.291 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 45.9 t0 -89.39 -10.37 46.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.606 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 26' ' ' THR . 67.6 p -76.2 139.89 41.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.568 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -94.03 148.89 21.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.289 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -58.25 -34.63 70.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -60.72 -44.26 96.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.85 -36.26 80.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.781 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.67 -14.94 63.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 -1.97 52.09 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.62 108.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.579 ' CG ' ' H ' ' A' ' 38' ' ' SER . 26.0 t70 -91.58 -173.61 3.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.466 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.579 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.68 -46.99 87.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.467 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 53.4 mt -67.04 -42.07 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.73 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -45.75 -38.38 6.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.705 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.77 -42.75 89.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.466 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -62.53 -37.58 86.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.373 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 44' ' ' ILE . 36.9 mm -64.02 -48.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.55 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.93 -42.58 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.366 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 tpp -58.24 -47.83 82.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.73 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.5 m-80 -62.93 -43.92 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.537 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.45 -43.28 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 1.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -58.45 -40.43 82.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -75.23 -36.52 61.31 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.793 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -66.55 -45.9 77.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.921 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -97.43 -2.0 43.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.686 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.4 48.27 76.94 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -121.19 -167.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.694 0.283 . . . . 1.0 110.357 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -142.89 115.29 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.25 131.89 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.0 t0 -102.01 152.88 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.283 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 81.4 tt0 -58.2 -37.63 75.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.292 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.7 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 98.0 m-20 -67.4 -20.02 65.48 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.61 ' C ' HE22 ' A' ' 62' ' ' GLN . 98.3 mttt -96.46 -19.57 19.05 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 123.354 0.409 . . . . 1.0 110.926 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.79 19.5 20.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.216 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.933 ' NE2' ' H ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -74.11 -26.53 60.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.973 -179.424 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.527 ' N ' ' OE1' ' A' ' 62' ' ' GLN . 25.4 t70 -80.44 2.1 26.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.522 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mm -78.4 127.88 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.384 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 t -125.24 -40.45 2.13 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 p -128.89 169.33 14.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.412 HG22 HD11 ' A' ' 67' ' ' ILE . 44.7 mm -53.51 -44.77 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.335 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -55.51 -42.39 74.43 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.384 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -58.29 -46.21 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.199 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.05 -39.19 89.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.0 82.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 99.7 m-20 -60.87 -45.53 94.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.875 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.44 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.467 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.28 -48.48 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.308 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.452 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 64.2 mm-40 -47.87 -36.39 12.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 1.0 110.632 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.06 -43.55 99.29 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 1.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.331 179.689 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.501 ' H ' ' CD ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -74.26 149.42 40.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 1.0 109.864 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.518 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -53.51 -22.27 7.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.529 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -72.37 -46.84 53.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.631 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -60.59 -43.08 97.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.643 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.648 ' CD1' HE21 ' A' ' 68' ' ' GLN . 56.3 mt -55.79 -39.83 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.359 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.674 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -63.84 -46.58 84.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.035 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.0 -45.73 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -62.04 -47.21 85.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.998 -0.281 . . . . 1.0 110.647 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -50.43 -45.54 55.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.712 0.632 . . . . 1.0 110.727 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.13 -42.66 81.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.743 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.7 t -64.29 -50.95 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.724 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.41 -34.61 78.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 1.0 110.864 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.5 mm-40 -67.77 -36.83 81.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.29 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.669 ' NZ ' HD22 ' A' ' 47' ' ' ASN . 18.8 mmmt -72.63 -35.76 67.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.81 -12.59 38.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.719 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.13 -152.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 53.5 mt -94.98 -22.04 18.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.94 -18.54 55.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.09 -32.15 18.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.692 0.282 . . . . 1.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -94.78 -3.38 49.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.6 p -132.1 154.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.36 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -126.72 130.54 71.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.172 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -116.73 134.89 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.193 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.453 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 1.4 p -131.96 162.06 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.15 -24.5 54.68 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.559 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 39.3 t0 -88.66 -8.04 55.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.453 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 7.6 m -77.54 134.26 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.778 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -93.0 143.4 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -55.74 -41.6 74.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.761 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -61.49 -39.16 89.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -62.14 -39.92 94.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.15 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.29 -16.22 63.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.625 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.04 -7.57 33.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.05 -0.82 . . . . 1.0 111.05 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.28 109.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.846 -0.342 . . . . 1.0 110.4 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.597 ' CG ' ' H ' ' A' ' 38' ' ' SER . 41.6 t0 -92.9 -171.21 2.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.541 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.597 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -60.52 -45.73 92.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' OE1' ' A' ' 43' ' ' GLU . 83.3 mt -66.13 -39.26 89.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.007 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -73.15 -47.23 45.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.64 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -47.36 -34.5 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.099 0.476 . . . . 1.0 110.605 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -64.66 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.901 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 4.4 mp0 -68.02 -30.18 69.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.895 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.42 -46.19 80.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.173 -0.467 . . . . 1.0 112.186 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' CG2' ' OE2' ' A' ' 49' ' ' GLU . 2.1 p -61.59 -49.07 85.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.943 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 47' ' ' ASN . 20.8 ptp -62.59 -38.74 91.3 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.951 -0.299 . . . . 1.0 111.12 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.669 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 2.9 m-80 -62.26 -43.48 98.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.387 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.94 -43.11 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.075 0.464 . . . . 1.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' OE2' ' CG2' ' A' ' 45' ' ' VAL . 92.7 mt-10 -57.91 -36.79 72.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.795 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -73.05 -38.77 66.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.743 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -69.74 -45.96 66.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.919 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -86.49 -7.26 58.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.518 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.02 48.49 85.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.285 -0.726 . . . . 1.0 111.285 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 pt -126.15 -167.11 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.79 0.329 . . . . 1.0 110.427 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -149.48 117.36 6.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.426 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.7 t -127.68 131.35 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.36 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -74.29 148.15 41.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.334 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.03 -36.38 83.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.559 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.82 -40.51 97.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 62' ' ' GLN . 98.4 mttt -66.72 -39.84 88.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 1.0 110.858 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 16.75 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.196 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' A' ' 60' ' ' LYS . 86.5 mm-40 -78.03 -39.27 42.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -66.3 -17.86 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.413 HG22 HD13 ' A' ' 64' ' ' ILE . 48.3 mm -66.09 128.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.351 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 19.9 m -130.97 -23.77 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.427 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 p -134.64 172.08 13.44 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.87 0.367 . . . . 1.0 110.431 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.7 mm -62.42 -43.45 98.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.624 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.648 HE21 ' CD1' ' A' ' 6' ' ' ILE . 1.8 mm-40 -56.72 -44.51 81.66 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.54 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.0 mt-30 -57.7 -41.43 81.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.954 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.55 89.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.502 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.62 81.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -42.73 99.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.39 -43.71 80.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.565 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.34 -60.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.311 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.1 -34.68 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.735 0.303 . . . . 1.0 110.742 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.3 -41.06 96.67 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -64.22 -40.71 96.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 1.0 110.704 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.434 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' CG ' ' H ' ' A' ' 5' ' ' THR . 16.7 ptmt -136.91 170.12 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.485 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -31.98 73.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.677 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -69.39 -46.97 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.735 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.433 ' H ' ' CG ' ' A' ' 2' ' ' LYS . 99.3 m -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.407 HD12 HG22 ' A' ' 6' ' ' ILE . 97.1 mt -61.4 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.095 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.2 -42.56 98.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.731 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -63.38 -49.4 73.98 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.694 -0.402 . . . . 1.0 111.09 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.36 -45.64 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 1.0 109.953 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -61.43 -38.07 85.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.791 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.7 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.994 0.426 . . . . 1.0 110.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mt -71.78 -42.9 70.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.725 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.72 -50.9 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.687 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -62.87 -33.81 76.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.93 0.395 . . . . 1.0 110.409 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 48.6 tp10 -70.66 -37.68 73.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 18.6 mmmt -72.11 -33.52 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.379 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -92.29 -3.06 55.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.006 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.38 -171.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 1.0 110.482 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.94 -23.24 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.441 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.24 80.13 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 -47.17 5.06 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.768 0.318 . . . . 1.0 110.978 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.78 9.98 10.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.828 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 p -131.4 155.67 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.363 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -124.44 129.78 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.01 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.23 139.27 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -138.63 158.48 44.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.261 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.4 65.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.199 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 43.4 t0 -87.89 -9.14 54.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.778 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 p -72.52 141.7 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.422 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -95.37 143.73 26.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.121 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -55.11 -40.93 71.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.166 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -65.15 -35.35 80.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.148 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.48 -37.69 87.57 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 120.876 0.37 . . . . 1.0 110.588 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.98 -6.63 28.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.334 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 19.23 32.44 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.49 109.33 12.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.706 0.288 . . . . 1.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -89.45 174.8 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.35 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -59.68 -36.81 77.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.7 mt -68.32 -33.72 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.841 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -82.04 -39.37 23.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 1.0 110.89 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 38' ' ' SER . 4.1 p -45.86 -39.09 8.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.91 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 p -65.12 -36.86 78.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.156 0.503 . . . . 1.0 110.235 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.47 -37.9 77.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mm -61.29 -50.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.733 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.45 -39.3 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.572 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.4 ttm -59.53 -48.56 81.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.757 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -64.29 -42.16 96.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.667 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.72 -41.89 95.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.578 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -38.51 89.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.096 0.474 . . . . 1.0 110.35 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.48 -38.98 62.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.103 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -70.44 -42.72 71.16 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.911 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.96 -7.28 49.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.484 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 49.57 67.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.8 pt -124.88 163.9 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.559 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -127.53 120.17 27.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.429 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.61 138.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.168 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.9 t0 -70.65 143.05 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.272 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.4 tm-20 -65.75 -34.03 77.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.63 -31.26 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -79.72 -14.9 58.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.798 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.2 12.88 18.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' C ' ' H ' ' A' ' 64' ' ' ILE . 96.7 mm-40 -70.01 -39.31 75.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.916 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -64.58 -1.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.595 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.439 ' H ' ' C ' ' A' ' 62' ' ' GLN . 51.2 mm -79.71 127.99 38.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.489 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -128.1 -39.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -128.43 173.93 9.78 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.766 0.317 . . . . 1.0 110.502 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.5 mm -57.94 -44.91 87.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.596 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.79 -41.15 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.154 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -58.24 -44.16 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.232 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.09 86.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.349 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.5 86.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.668 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -40.21 96.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.436 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.89 -46.34 40.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.666 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.28 -55.34 23.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.353 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -50.79 -33.08 21.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 1.0 110.714 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.48 99.51 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.5 -41.4 96.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 1.0 110.666 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.427 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.84 170.97 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.09 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.05 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.404 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.38 -47.68 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.863 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -61.8 -42.66 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.71 -40.07 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.69 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.53 -42.99 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.742 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -60.72 -50.97 71.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.103 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.96 -45.48 87.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.406 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.8 p -59.88 -39.43 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.52 -0.309 . . . . 1.0 110.963 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.98 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.04 0.447 . . . . 1.0 110.622 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -71.43 -42.85 73.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.53 -51.05 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.969 -178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.85 -32.5 74.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.724 -0.39 . . . . 1.0 109.982 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 18' ' ' ALA . 42.6 tp10 -71.12 -40.09 71.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.744 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.713 ' HZ3' HD22 ' A' ' 47' ' ' ASN . 0.1 OUTLIER -68.88 -36.3 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.591 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.82 -8.3 49.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.357 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -179.35 -167.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 9.9 mp -81.86 -22.37 36.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 1.0 110.261 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.25 9.14 76.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.46 -61.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 1.0 110.689 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.02 3.45 55.72 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.694 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.84 132.99 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.3 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -119.81 128.93 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.067 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 p -118.4 144.59 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.304 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -137.11 161.95 34.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.315 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.39 67.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -87.19 -10.49 52.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -73.32 154.75 39.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.366 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -107.32 146.76 31.15 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.21 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -57.71 -41.69 82.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.42 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -61.95 -40.56 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.669 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -60.13 -37.11 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.49 -5.06 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.509 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.62 16.54 45.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.268 -0.733 . . . . 1.0 111.268 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.07 108.1 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 1.0 110.414 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 29.5 p30 -98.35 -172.18 2.29 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.537 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.27 -44.75 92.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.734 -0.667 . . . . 1.0 110.446 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.05 -32.72 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.746 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 97.5 m-20 -84.24 -53.21 5.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 1.0 110.856 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 37' ' ' ASP . 11.4 p -45.57 -41.58 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 1.0 111.545 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.68 -35.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.941 0.4 . . . . 1.0 109.991 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 96.7 mt-10 -70.47 -37.39 74.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.773 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -60.7 -51.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.912 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.31 -43.56 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 1.0 110.692 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.3 ttp -59.56 -45.86 90.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.834 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.713 HD22 ' HZ3' ' A' ' 16' ' ' LYS . 53.1 m-80 -64.92 -42.41 94.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.771 0.319 . . . . 1.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.32 -42.54 96.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.899 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -57.48 -39.51 76.56 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.352 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.17 -37.29 69.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.984 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.94 -43.64 87.45 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.882 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -96.94 -1.68 45.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.671 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.97 51.82 47.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.47 156.06 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.876 0.37 . . . . 1.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -119.71 121.51 39.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.83 141.41 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.237 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -73.94 148.63 42.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -66.96 -35.27 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.737 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.6 p30 -62.31 -38.45 89.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 1.0 110.749 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.3 mttp -66.76 -40.08 88.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.23 14.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.158 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' H ' ' C ' ' A' ' 60' ' ' LYS . 76.1 mm-40 -71.26 -39.93 71.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.953 0.406 . . . . 1.0 111.0 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 49.5 t0 -63.5 -1.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.447 ' H ' ' C ' ' A' ' 62' ' ' GLN . 51.3 mm -78.44 126.7 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.333 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 p -127.27 -40.99 1.78 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.382 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.0 p -124.6 173.48 8.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.479 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.03 -45.16 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.559 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -53.92 -41.79 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.335 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -58.94 -45.68 89.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.305 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.68 91.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.22 90.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.695 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.69 -41.38 99.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 1.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.4 t -70.95 -45.84 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.75 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.16 -51.82 67.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.156 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -64.84 -33.24 75.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.099 0.476 . . . . 1.0 110.352 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.33 -23.59 64.62 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -84.97 -45.44 12.18 Favored 'General case' 0 N--CA 1.46 0.066 0 CA-C-O 121.163 0.506 . . . . 1.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.311 -179.21 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 157.33 22.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.846 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.06 -16.03 58.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.536 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 11.0 tm-20 -76.67 -43.65 37.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 m -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.537 ' CD1' HE21 ' A' ' 68' ' ' GLN . 55.2 mt -57.2 -38.83 63.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.04 -42.15 98.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.464 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -64.52 -48.99 73.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 1.0 110.938 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.58 -46.1 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.417 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.36 -40.54 94.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.064 0.459 . . . . 1.0 110.78 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.36 -41.85 78.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.7 -51.39 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.509 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -63.2 -36.69 84.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.92 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' ALA . 66.5 mm-40 -71.82 -34.7 69.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.5 mmmt -73.2 -32.83 65.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.412 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.58 -2.15 52.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.115 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.37 -170.77 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.607 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 62.6 mt -70.33 -23.98 62.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.695 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.96 -23.05 37.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.66 -29.22 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 1.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -94.81 4.68 53.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.786 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.13 154.45 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.339 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -126.37 125.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 109.96 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -118.08 134.98 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.417 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -134.46 161.44 35.03 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.589 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.34 66.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -86.61 -9.67 55.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.673 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -76.88 146.44 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.573 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.11 141.34 35.11 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.317 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -50.39 -39.37 46.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.517 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.8 p -62.62 -39.26 93.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.664 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -62.6 -38.06 88.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.77 -20.09 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.49 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.52 0.7 37.38 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 108.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.918 -0.313 . . . . 1.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -93.42 -176.19 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.47 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.26 -45.47 93.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.455 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.22 -37.65 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.573 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -78.65 -47.6 16.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 m -46.0 -45.48 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.017 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 p -64.55 -32.64 58.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.406 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' CG ' ' HZ2' ' A' ' 16' ' ' LYS . 1.2 tp10 -71.94 -35.17 69.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.481 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.43 -50.44 80.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.833 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.7 p -66.94 -42.5 88.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.6 ttp -56.33 -47.3 79.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.877 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.525 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -65.98 -43.02 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.8 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.22 -42.88 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.589 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -58.46 -37.98 76.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.554 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.75 -37.02 65.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.812 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.1 tm-20 -68.06 -43.85 77.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.075 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 80.3 m-85 -93.23 -3.58 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.552 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.34 54.91 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.5 pt -125.24 -167.62 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.819 0.343 . . . . 1.0 110.459 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.528 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -148.52 115.49 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -132.94 133.35 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.317 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -89.63 151.91 21.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.386 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -60.56 -36.34 78.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.625 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -62.32 -36.67 82.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.435 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -84.77 -15.04 46.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.78 10.66 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.732 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -68.63 -38.42 80.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.882 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -6.16 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.66 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.403 HG22 HD13 ' A' ' 64' ' ' ILE . 43.6 mm -78.69 126.38 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.577 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 p -123.93 -43.79 2.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.5 p -126.93 178.05 6.22 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.657 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.5 mm -59.77 -44.63 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.32 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.537 HE21 ' CD1' ' A' ' 6' ' ' ILE . 5.7 mm-40 -54.95 -42.73 72.68 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.596 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -56.93 -46.77 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.352 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.14 89.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.773 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -63.35 -39.96 95.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 1.0 110.544 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -73.21 -44.84 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.7 -49.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.149 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.06 -31.67 72.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.945 0.402 . . . . 1.0 110.76 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.83 -26.41 73.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.312 -0.715 . . . . 1.0 111.312 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.5 mt -75.12 -34.22 61.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.719 0.295 . . . . 1.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.822 -178.866 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.482 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -63.48 146.71 53.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.094 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.421 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -52.31 -18.78 1.72 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.585 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.421 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 44.0 tt0 -75.31 -47.19 28.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.47 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 m -60.08 -42.23 94.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.497 ' CD1' ' NE2' ' A' ' 68' ' ' GLN . 53.0 mt -58.46 -40.39 78.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.326 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.61 -43.93 96.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.836 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.68 -49.26 77.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.924 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.2 -46.01 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.459 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -61.69 -40.46 95.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.583 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -60.02 -45.69 91.95 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 121.224 0.535 . . . . 1.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.12 -43.28 75.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.431 . . . . 1.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.96 -50.69 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.268 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.9 -33.36 75.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.694 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.1 mt-10 -67.62 -42.69 81.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.951 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' CB ' ' NZ ' ' A' ' 16' ' ' LYS . 2.3 mtpm? -70.82 -35.45 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.33 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.91 -2.54 57.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.933 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 174.19 -176.31 0.08 Allowed 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.494 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.6 mm? -82.94 -22.77 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.706 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.3 -5.23 84.27 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.08 -0.808 . . . . 1.0 111.08 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.45 -55.31 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 1.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -101.26 12.17 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.597 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.9 t -118.92 133.68 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.813 0.34 . . . . 1.0 110.185 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.15 129.1 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.86 140.04 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.668 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -140.29 161.37 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.676 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.53 -24.6 61.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.417 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 50.8 t0 -87.89 -19.13 27.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.549 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.9 t -71.66 138.67 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.61 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 97.6 mt-10 -87.83 166.3 14.68 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 120.958 0.409 . . . . 1.0 110.754 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -71.54 -36.73 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.972 0.415 . . . . 1.0 110.719 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 m -65.51 -42.97 91.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.264 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -62.94 -20.83 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.63 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.2 mt -82.41 -6.38 59.25 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.268 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.72 9.37 52.78 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -63.27 145.15 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 1.0 110.37 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 99.7 m-20 -142.64 -177.1 5.13 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.681 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.08 -43.9 95.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -70.18 -32.52 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.714 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 7.3 m-20 -84.24 -49.01 9.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.977 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' ASP . 8.1 p -45.87 -44.33 14.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.042 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.45 -38.37 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.46 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.473 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.2 mt-10 -66.71 -36.34 82.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.886 0.374 . . . . 1.0 110.589 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.82 -44.42 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.441 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.73 -46.48 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.25 -41.43 98.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-80 -66.4 -50.38 63.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.925 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.42 -43.87 93.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.754 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.3 -39.06 78.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -73.8 -33.16 64.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.687 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.63 -42.81 86.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.508 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.14 -1.89 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.538 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.12 50.24 65.86 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 111.145 -0.782 . . . . 1.0 111.145 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.5 pt -125.1 -168.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.397 . . . . 1.0 110.489 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 10.6 p30 -148.77 115.57 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.4 t -128.68 129.96 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.431 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.7 t0 -78.1 142.35 38.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 99.2 mt-10 -58.35 -35.34 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -65.12 -34.91 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.99 -15.24 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.565 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.77 11.72 23.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.511 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.457 ' C ' ' H ' ' A' ' 64' ' ' ILE . 95.7 mm-40 -69.66 -40.37 76.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.811 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 57.2 t0 -63.36 -1.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.449 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.457 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.7 mm -81.4 127.17 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.521 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 p -127.96 -39.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.502 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -127.38 174.51 8.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 67' ' ' ILE . 43.6 mm -58.85 -47.8 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.518 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.497 ' NE2' ' CD1' ' A' ' 6' ' ' ILE . 8.2 mm-40 -51.1 -40.03 57.5 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.18 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.279 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.47 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.709 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.718 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.58 -44.37 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.775 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.55 -44.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.764 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.51 -54.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.074 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -65.5 -32.69 74.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.423 . . . . 1.0 110.568 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.87 -27.6 64.64 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -78.01 -42.03 33.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.527 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 161.99 32.09 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.117 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -31.98 70.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.653 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -65.0 -49.38 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.531 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.0 m -60.97 -42.06 97.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.829 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.22 -40.89 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.966 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.72 -42.53 97.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.565 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -62.58 -48.08 81.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.981 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.07 -46.81 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.051 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.56 -39.81 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.596 -0.274 . . . . 1.0 110.675 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.76 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.492 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -69.17 -43.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.01 0.433 . . . . 1.0 110.42 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.02 -49.01 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.619 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -65.62 -32.67 74.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.099 0.476 . . . . 1.0 110.361 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' ALA . 51.5 tp10 -69.24 -42.33 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.789 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -35.1 73.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.295 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.95 -11.67 52.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.874 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.47 -174.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.347 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.7 mt -72.6 -23.36 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.877 0.37 . . . . 1.0 110.54 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.19 -17.24 52.85 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.703 -0.959 . . . . 1.0 110.703 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -50.53 60.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 1.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -96.18 1.9 52.64 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.42 132.43 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.148 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -118.57 131.37 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.4 t -116.62 136.17 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -133.19 165.86 23.81 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.78 -23.53 65.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.502 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.4 -20.22 26.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 m -69.71 140.12 53.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.362 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -98.8 143.7 28.85 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -51.86 -40.91 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.852 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -61.21 -42.2 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 1.0 110.711 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -61.69 -38.19 86.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.76 -22.11 66.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.592 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 17.98 11.27 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 111.225 -0.75 . . . . 1.0 111.225 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.91 109.6 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 1.0 110.364 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -92.39 -168.55 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.543 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -61.81 -46.71 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.634 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.767 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.96 -44.74 91.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.0 m -46.36 -38.76 9.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 1.0 110.737 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.941 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 95.8 mt-10 -63.68 -39.35 94.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.678 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.7 mm -64.55 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 1.0 110.95 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.42 -44.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.367 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.66 -44.71 96.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.724 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.7 m-80 -64.89 -44.57 89.19 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.784 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.65 -42.24 91.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.032 0.444 . . . . 1.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.23 -39.77 87.87 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -73.86 -39.46 63.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -70.54 -44.03 68.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.719 -0.393 . . . . 1.0 110.882 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -88.44 -6.83 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.324 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.02 49.58 70.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.1 pt -127.59 162.63 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.838 0.352 . . . . 1.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -132.61 115.67 15.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.283 179.614 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.11 145.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.262 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.41 148.41 31.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.506 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -65.11 -37.27 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.5 p30 -50.38 -32.24 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.426 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.6 mttp -88.23 -13.28 41.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.343 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLU . . . -94.19 3.8 54.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.019 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 59' ' ' ASP . 2.4 pt20 -68.5 -37.75 80.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.864 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.63 -4.91 4.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.602 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.3 mm -79.48 127.78 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 53.7 p -126.61 -36.63 2.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.596 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.0 p -125.23 172.67 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.74 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.85 -44.02 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.372 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -54.37 -45.01 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.284 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 81.8 mt-30 -59.31 -40.93 87.81 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.999 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -42.03 84.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.355 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.26 -44.53 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.506 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.41 -60.47 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.115 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -48.93 -36.63 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.843 0.354 . . . . 1.0 110.663 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.93 -37.92 94.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.45 -39.6 92.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 1.0 110.849 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.489 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 139.99 30.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.35 -21.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.445 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -70.22 -45.64 66.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.2 m -64.51 -33.88 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.614 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 HG23 ' A' ' 6' ' ' ILE . 16.5 mm -61.36 -41.25 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.439 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.64 -41.13 97.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.66 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -58.15 -52.64 64.7 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.925 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 t -65.41 -45.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.404 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -60.22 -41.8 93.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.811 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.05 -46.2 90.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 1.0 110.592 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.34 -42.09 81.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.72 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.09 -53.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.479 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.47 -32.86 73.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.937 0.399 . . . . 1.0 110.527 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.0 tt0 -70.06 -39.92 75.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.885 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.666 ' HZ3' ' ND2' ' A' ' 47' ' ' ASN . 18.7 mmmt -69.62 -36.86 76.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.548 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.63 -12.21 51.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.022 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.91 -171.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.351 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.466 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 10.0 mp -78.69 -23.49 45.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.78 -15.8 60.81 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.0 110.919 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -96.63 3.32 52.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.781 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.23 134.27 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 1.0 110.28 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -116.87 128.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.157 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 p -117.26 146.07 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.384 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.426 ' O ' ' OG ' ' A' ' 29' ' ' SER . 1.2 p -139.13 158.95 43.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.461 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.24 -28.01 57.0 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.113 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 46.6 t0 -88.82 -11.02 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.677 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 26' ' ' THR . 57.2 p -66.75 143.32 57.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.366 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.37 144.01 28.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.261 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -57.15 -37.48 72.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.664 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.99 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.72 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -62.84 -39.89 95.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.3 mt -66.05 -20.43 66.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.78 6.17 37.98 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 108.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 1.0 110.437 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.624 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.0 t0 -101.25 -169.69 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.43 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.624 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.67 -44.92 96.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.397 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.87 -37.3 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.405 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -82.33 -49.15 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.075 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 37' ' ' ASP . 52.7 m -45.92 -45.3 15.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.459 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 p -63.51 -36.02 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.802 -0.359 . . . . 1.0 110.421 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.27 -34.22 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.584 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -60.72 -49.31 85.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.675 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.57 -44.2 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.967 0.413 . . . . 1.0 110.747 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.6 ttm -55.23 -48.41 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.856 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.666 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 1.9 m-80 -64.17 -44.19 92.84 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.949 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.01 -42.29 97.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.381 . . . . 1.0 110.704 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.85 -39.89 82.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -74.21 -36.12 63.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -66.36 -47.37 73.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -96.1 -2.76 45.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.588 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.31 45.52 82.88 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.4 pt -112.01 -170.93 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.868 0.366 . . . . 1.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -156.51 113.24 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.8 p -141.58 141.62 29.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.422 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -78.77 146.6 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.559 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.37 -33.72 76.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.592 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -51.49 -41.91 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.426 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.93 -13.38 59.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.24 6.03 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.685 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -67.6 -37.65 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 30.4 p-10 -64.95 -6.64 8.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.812 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.434 HD11 HG21 ' A' ' 64' ' ' ILE . 47.8 mm -76.94 127.7 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.325 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -124.37 -38.28 2.44 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.547 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -131.48 177.51 7.44 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.86 0.362 . . . . 1.0 110.398 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.75 -46.69 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.346 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.544 ' CA ' HE21 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -53.66 -41.24 66.62 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.42 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -59.44 -44.06 92.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.347 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.81 84.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 64.0 t0 -61.83 -39.84 93.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.664 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.5 t -75.33 -46.38 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.873 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.86 -53.12 50.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.312 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -56.99 -32.78 66.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.696 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.99 91.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.66 -42.34 91.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 1.0 110.933 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.733 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 170.78 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 1.0 109.981 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -66.91 -25.61 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.596 179.548 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.5 -47.46 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.503 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.435 ' OG1' ' OE2' ' A' ' 75' ' ' GLU . 13.3 m -60.36 -41.11 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.7 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.87 -41.77 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.923 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -61.2 -46.12 91.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -59.51 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.639 -0.424 . . . . 1.0 111.178 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.43 -44.96 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.048 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 p -65.75 -39.33 90.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.61 -45.76 90.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.27 0.557 . . . . 1.0 110.61 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -71.77 -42.94 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.618 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.52 -57.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.917 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 16.7 ptmt -52.98 -38.88 62.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.179 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 95.0 mt-10 -70.68 -33.24 70.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -36.73 76.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.544 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -92.49 -10.6 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.921 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -173.8 -161.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.366 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 10.0 mp -85.98 -22.76 27.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.48 34.37 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.63 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 1.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 23.1 p-10 -93.27 6.35 48.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.76 134.74 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.191 0.52 . . . . 1.0 110.064 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.11 127.88 65.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.047 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -117.29 136.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.643 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -140.64 158.3 44.18 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 -26.35 58.17 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -85.76 -12.86 49.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 p -77.81 139.1 39.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 97.7 mt-10 -89.55 166.19 13.81 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.149 0.499 . . . . 1.0 110.707 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -72.73 -40.58 65.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.114 0.483 . . . . 1.0 110.754 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -64.42 -44.74 90.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.967 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.451 ' HG2' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -59.21 -21.51 59.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.506 -179.271 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.95 -7.89 59.62 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.371 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 6.38 56.97 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.42 108.17 0.24 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.883 0.373 . . . . 1.0 110.489 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -94.98 -176.39 3.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.459 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -64.99 -38.81 92.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.571 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.54 -21.5 57.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.564 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -83.71 -50.2 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.883 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.3 m -45.93 -42.65 13.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.587 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.65 -37.28 79.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.227 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.57 -37.69 82.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.589 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -62.78 -48.28 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.775 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.69 -44.83 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.8 ttp -60.61 -44.98 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.408 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -66.03 -47.42 74.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.231 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.664 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.93 -37.32 79.16 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.54 -0.464 . . . . 1.0 110.716 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.58 -37.17 63.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.804 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -67.14 -50.83 59.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -87.97 -2.95 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.491 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.44 53.0 30.33 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.073 -0.811 . . . . 1.0 111.073 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.0 pt -120.13 -168.15 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 120.973 0.416 . . . . 1.0 110.667 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 7.8 p30 -156.4 108.87 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.404 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -133.07 139.66 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.627 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 58.4 t0 -74.08 147.57 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 56.7 mp0 -66.19 -32.69 74.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.653 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 22.1 m-20 -63.94 -40.1 95.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.1 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 62' ' ' GLN . 68.6 mttm -67.35 -41.45 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 17.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.01 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.494 ' H ' ' C ' ' A' ' 60' ' ' LYS . 69.5 mm-40 -70.66 -39.7 73.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.872 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -63.63 -2.78 1.83 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.572 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.8 mm -79.87 127.03 39.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 1.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.493 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 1.4 m -134.32 -18.77 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.27 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.53 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 33.6 p -137.54 168.87 18.8 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.637 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.8 -44.87 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.504 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -54.83 -45.4 74.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.354 -0.538 . . . . 1.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' A' ' 66' ' ' THR . 83.4 mt-30 -58.36 -43.61 88.44 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.116 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.04 97.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.52 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.44 81.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.84 -48.45 81.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.085 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.68 -45.47 98.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -60.93 -51.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.361 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 65.6 mm-40 -48.39 -37.14 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 1.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.74 97.22 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -41.36 96.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 1.0 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -77.73 144.3 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.146 0.498 . . . . 1.0 109.925 179.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -18.11 0.29 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.083 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' LYS . 85.4 mt-10 -73.59 -49.05 28.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.69 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.9 m -60.99 -42.36 98.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.611 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.49 -41.58 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.256 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -43.07 95.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.723 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -62.26 -48.44 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.103 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.46 -46.75 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.258 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 m -59.09 -40.94 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.595 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -61.56 -43.78 98.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.633 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.1 -42.7 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.035 0.445 . . . . 1.0 110.613 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.11 -50.22 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.745 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -64.87 -37.28 87.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.772 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 18' ' ' ALA . 64.1 mm-40 -70.26 -36.17 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.937 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.1 mmmt -72.03 -35.12 69.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.397 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -93.02 -6.1 49.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.054 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.23 -169.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.457 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.81 -19.62 30.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.532 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.06 -13.62 56.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 1.0 110.737 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -48.75 70.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 1.0 110.708 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 52.3 t0 -106.95 10.83 30.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.622 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -124.8 133.39 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.0 t -121.5 131.02 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.949 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -116.66 133.53 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.111 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -130.68 166.16 21.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.434 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -25.65 63.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.538 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 33.0 t0 -88.35 -8.23 55.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.773 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -76.89 134.66 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.544 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -93.43 141.66 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.019 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.11 -40.93 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.531 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.9 m -60.47 -41.65 94.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.843 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.12 -39.77 83.35 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.708 0.29 . . . . 1.0 110.54 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.57 -16.52 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.365 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.25 3.83 47.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 109.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 1.0 110.381 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -88.97 -175.31 4.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.548 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.91 -49.27 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.539 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.85 -42.14 95.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.679 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -63.3 -44.32 95.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.498 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.0 m -46.09 -39.72 9.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.865 0.364 . . . . 1.0 110.634 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.43 -43.79 94.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.303 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.31 -37.98 85.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.57 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.11 -48.92 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.66 -42.77 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.432 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -56.78 -47.54 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.873 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.614 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.1 m-80 -65.01 -43.19 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.649 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.05 -43.84 94.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 1.0 110.627 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.09 -37.45 77.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.98 -38.48 61.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.985 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' OE1' ' CD2' ' A' ' 52' ' ' PHE . 14.4 tm-20 -67.16 -44.92 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.005 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.429 ' CD2' ' OE1' ' A' ' 51' ' ' GLU . 94.9 m-85 -94.72 -4.24 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.586 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.67 51.17 58.4 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.031 -0.827 . . . . 1.0 111.031 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.454 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 35.6 pt -126.87 -167.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 1.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -146.98 118.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.144 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.91 128.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.411 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -83.16 152.27 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -63.31 -27.88 69.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.365 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.16 -39.53 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.441 ' CD ' ' N ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -77.95 -14.09 59.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.3 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.605 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -68.5 -52.14 35.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.979 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 64' ' ' ILE . 37.1 p-10 -63.91 -28.69 70.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.736 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.407 HG21 HD12 ' A' ' 64' ' ' ILE . 50.3 mm -58.8 124.5 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.403 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -134.09 -18.27 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.41 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 p -135.01 167.59 20.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mm -60.92 -43.76 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -44.98 79.25 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.421 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.03 -41.07 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.007 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.1 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.65 -37.1 81.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.686 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.73 -44.4 96.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.0 t -69.9 -43.4 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.389 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.38 -60.42 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.164 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.69 -30.73 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.878 0.37 . . . . 1.0 110.669 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.99 -40.78 95.4 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.63 -41.57 98.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.696 0.284 . . . . 1.0 110.63 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.426 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 170.47 12.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.295 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -27.9 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.523 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.31 -48.15 74.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.1 m -63.1 -44.09 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.652 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -56.55 -36.46 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.121 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.43 -42.69 98.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -62.23 -53.91 48.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.988 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.33 -47.28 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.691 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.7 p -61.53 -38.66 88.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.675 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.56 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.499 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.75 -42.32 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.139 0.495 . . . . 1.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.72 -53.86 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.845 -0.616 . . . . 1.0 112.011 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -63.95 -32.71 74.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.794 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.8 mt-10 -67.64 -36.69 81.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.596 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.646 ' HZ3' ' ND2' ' A' ' 47' ' ' ASN . 17.2 mmmt -74.84 -32.62 61.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 1.0 111.217 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -95.6 -3.5 46.25 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.068 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.27 -172.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.74 -24.19 53.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 4.06 88.69 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.064 -0.814 . . . . 1.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.7 -62.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 1.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -86.05 13.99 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.672 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -119.41 132.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.993 0.425 . . . . 1.0 110.528 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.48 127.61 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 1.0 110.381 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.28 137.0 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.832 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 1.1 p -141.47 159.49 42.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.785 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -30.01 63.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.298 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -80.67 -8.59 59.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.432 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 8.8 m -71.7 132.34 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.605 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -93.76 147.79 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.458 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.625 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -61.27 -41.65 97.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.68 -39.06 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.98 -10.22 37.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.516 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.3 5.78 55.75 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 109.14 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 1.0 110.607 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -89.4 -175.11 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.361 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.01 -47.21 86.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.475 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.11 -42.55 89.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.495 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.51 -45.72 89.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -46.62 -38.08 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.352 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.15 -43.0 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.515 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.94 -36.78 85.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.022 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.404 HG21 HD11 ' A' ' 44' ' ' ILE . 42.8 mm -61.21 -51.98 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.231 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.89 -35.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.046 0.451 . . . . 1.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 tpp -61.82 -46.36 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.627 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.646 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 3.2 m-80 -67.03 -43.14 83.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.84 -42.76 97.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.482 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -61.06 -38.46 86.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.416 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.08 -36.73 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.057 0.456 . . . . 1.0 111.188 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.16 -49.05 75.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.982 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -94.4 -6.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.38 39.48 97.82 Favored Glycine 0 C--N 1.33 0.242 0 N-CA-C 111.331 -0.708 . . . . 1.0 111.331 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 pt -108.17 -168.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.872 0.368 . . . . 1.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -149.02 125.75 11.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.26 133.18 52.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.7 t0 -77.18 152.83 34.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.435 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.4 tm-20 -65.76 -35.88 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.481 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.22 -40.2 96.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.611 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.6 mttp -67.58 -35.52 79.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.05 0.452 . . . . 1.0 111.045 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.84 8.53 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.918 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.433 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 91.7 mm-40 -71.91 -39.92 69.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -72.04 -0.37 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.535 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.436 HD13 HG22 ' A' ' 64' ' ' ILE . 47.3 mm -88.67 125.12 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 5.7 t -132.88 -22.95 2.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.429 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.459 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 73.6 p -131.05 169.14 16.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.49 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.71 -44.56 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -54.2 -46.8 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.442 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 65' ' ' SER . 83.7 mt-30 -57.01 -44.71 83.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.131 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.51 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.181 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.19 -35.13 73.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.696 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.37 -39.25 89.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.402 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 82.6 t -76.07 -45.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.152 0.501 . . . . 1.0 111.199 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.6 -54.11 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.786 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.9 pp20? -49.43 -36.17 21.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.615 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.55 -42.86 99.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.092 -0.803 . . . . 1.0 111.092 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.97 -39.65 93.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 1.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.551 -179.69 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' NZ ' ' OG1' ' A' ' 5' ' ' THR . 0.1 OUTLIER -132.8 161.63 33.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.173 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -27.72 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.434 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -67.48 -51.73 47.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.57 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.528 ' OG1' ' NZ ' ' A' ' 2' ' ' LYS . 80.0 m -61.83 -36.37 80.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.783 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.459 ' CG1' HE21 ' A' ' 68' ' ' GLN . 94.0 mt -60.68 -41.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.303 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -41.95 99.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -61.72 -49.95 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.166 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.52 -45.92 91.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -50.04 75.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.872 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 40.8 t0 -48.86 -47.02 43.16 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.482 0.488 . . . . 1.0 110.896 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.89 -42.25 85.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.956 0.408 . . . . 1.0 110.706 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.87 -49.97 81.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.4 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -68.51 -31.69 71.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.914 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' ALA . 67.5 mt-10 -67.7 -39.96 84.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 1.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -33.0 60.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.001 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.99 -0.93 57.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.819 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.58 -172.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.51 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.93 -25.33 62.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.44 -23.43 25.0 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.05 -32.15 16.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.841 0.353 . . . . 1.0 110.756 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.77 2.76 56.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.723 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.73 150.47 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.8 p -134.4 120.7 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.397 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.31 150.97 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.137 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.499 ' C ' ' H ' ' A' ' 28' ' ' ASP . 2.0 p -136.04 166.08 24.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.02 -12.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.366 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 26' ' ' THR . 43.5 t0 -100.6 -9.64 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.686 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' THR . 58.4 m -73.76 127.71 33.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.579 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -89.34 141.8 28.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -56.61 -41.27 76.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -59.0 -41.46 87.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.0 -17.32 64.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.504 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.65 8.28 43.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.061 -0.815 . . . . 1.0 111.061 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 108.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 1.0 110.545 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 85.0 m-20 -93.72 -176.59 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.541 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.07 -47.5 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.509 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.9 mt -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 99.2 m-20 -76.0 -46.88 27.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -44.88 -45.34 10.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.84 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.46 -32.73 51.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.391 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 21.3 tp10 -67.95 -35.14 77.89 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.96 -46.96 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.78 -42.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 tpp -56.57 -47.74 78.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.76 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -63.87 -43.18 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.73 -43.2 89.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.927 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' GLY . 91.1 mt-10 -58.93 -41.74 88.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -73.54 -35.33 65.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.842 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.8 -46.17 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.834 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -98.93 -4.68 32.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 1.0 110.651 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 61.38 48.62 84.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.096 -0.802 . . . . 1.0 111.096 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 pt -123.27 162.29 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.297 -0.26 . . . . 1.0 110.297 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -119.86 114.99 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.42 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.91 131.32 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.4 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.86 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.384 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.88 -27.94 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.72 -39.43 94.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.74 -13.41 54.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.41 7.2 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.651 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.52 ' C ' ' H ' ' A' ' 64' ' ' ILE . 99.5 mm-40 -70.09 -41.9 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.853 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.46 1.36 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.52 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.4 mm -84.95 130.31 36.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.632 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -129.85 -37.66 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 p -130.04 177.28 7.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.879 0.371 . . . . 1.0 110.4 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.1 mm -59.53 -44.72 93.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.602 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.459 HE21 ' CG1' ' A' ' 6' ' ' ILE . 3.7 mm-40 -56.1 -44.0 78.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.516 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -56.15 -45.05 79.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.268 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.06 90.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.36 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.77 -39.88 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.6 t -76.34 -45.89 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.07 -52.6 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -56.27 -34.6 66.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.08 99.31 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.7 -40.17 92.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.329 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.34 -179.57 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 175.52 10.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.205 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -69.07 -26.43 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.821 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.82 -48.32 59.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.834 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 m -61.11 -44.54 97.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.446 ' CG1' HE21 ' A' ' 68' ' ' GLN . 97.2 mt -56.41 -38.99 58.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.383 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.537 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -61.83 -50.23 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.932 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.1 t -67.49 -46.29 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.554 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.47 -44.4 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.18 -42.82 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.952 0.406 . . . . 1.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.89 -51.04 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.248 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.01 -31.71 72.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.584 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 18' ' ' ALA . 12.0 tm-20 -69.87 -40.84 75.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.66 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -35.24 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.426 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -86.37 -7.73 58.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.053 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 175.42 -177.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.485 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.37 -24.36 62.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.659 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.63 -13.65 63.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -50.16 44.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 1.0 110.7 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.5 3.38 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.635 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.6 t -118.57 132.01 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.324 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.97 129.94 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.429 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -116.6 136.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.193 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.74 167.07 17.0 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.693 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.2 -22.14 66.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.594 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 52.6 t0 -92.19 -7.55 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.685 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 m -77.75 135.23 37.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.603 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -89.55 142.14 27.94 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -53.77 -40.7 66.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.686 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -62.36 -38.62 90.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -38.19 88.28 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.56 -20.58 66.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 1.0 109.594 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.65 6.82 32.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.31 109.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 1.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -88.0 -176.3 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.94 -49.48 77.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.546 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -65.14 -44.71 87.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.394 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.3 m -46.17 -39.43 9.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.803 0.335 . . . . 1.0 110.537 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.54 -42.47 93.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 81.0 mm-40 -61.5 -39.55 91.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.448 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.58 -47.75 91.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.595 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.9 -43.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.971 0.415 . . . . 1.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 tpp -60.36 -45.6 92.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.891 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.6 m-80 -64.79 -47.37 78.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.799 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.47 -44.18 95.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.85 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.42 -36.94 85.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.907 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -76.21 -37.28 57.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.67 -43.42 69.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.721 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -94.18 -5.9 46.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.9 49.59 65.79 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 pt -121.99 161.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 1.0 110.489 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.48 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -124.59 122.74 38.41 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.429 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.43 141.32 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.42 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.96 147.26 41.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.788 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.3 -34.69 78.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -62.03 -39.93 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.0 mtpm? -66.74 -41.84 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.75 23.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.874 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 60' ' ' LYS . 80.2 mm-40 -79.28 -35.3 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.614 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.61 -0.98 4.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.37 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.439 HD12 HG21 ' A' ' 64' ' ' ILE . 48.0 mm -77.15 125.69 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 m -124.52 -36.93 2.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 p -128.74 174.93 9.01 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.92 0.39 . . . . 1.0 110.476 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.92 -43.65 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.752 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.446 HE21 ' CG1' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -57.53 -40.63 79.24 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.63 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -57.82 -44.17 86.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.063 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.34 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.488 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.2 89.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.01 -41.17 99.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.533 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.54 -43.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.747 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.91 -59.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.212 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -48.21 -32.34 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.502 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.62 90.42 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.72 -39.11 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.854 0.359 . . . . 1.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.043 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.592 ' HZ3' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -69.63 161.72 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.158 0.504 . . . . 1.0 110.035 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -15.11 57.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.637 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -76.75 -46.71 24.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.553 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -60.85 -42.16 97.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.704 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.94 -38.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.501 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -63.51 -38.03 89.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.479 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -64.76 -50.04 68.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.235 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.84 -45.04 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.482 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -61.1 -38.83 87.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.699 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.644 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.1 mt -71.72 -42.39 70.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.701 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.77 -51.92 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.198 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.03 -33.44 75.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 1.0 110.682 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 79.3 tt0 -70.56 -39.34 74.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.776 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.61 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.9 mmmt -71.02 -35.68 72.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.49 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.95 -8.73 53.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.97 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.61 -171.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.488 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 10.4 mp -79.21 -22.85 44.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.403 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.14 -0.86 82.17 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.68 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.717 0.294 . . . . 1.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -97.22 9.69 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.8 t -119.87 133.8 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.135 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -112.05 126.83 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.205 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.7 140.0 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -140.8 161.27 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.672 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -23.69 64.01 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.391 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.8 -16.59 31.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.713 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 m -71.76 137.01 47.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.493 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.07 151.62 21.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -58.8 -41.44 86.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.552 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -62.04 -40.5 95.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -58.88 -39.81 82.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.796 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.91 -21.56 65.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.634 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.01 -9.96 22.94 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 109.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 1.0 110.433 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.07 -175.09 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.408 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.93 -41.86 92.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.9 mt -65.22 -38.87 91.75 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.527 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.92 -37.45 29.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.539 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.5 m -45.73 -43.6 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.723 0.296 . . . . 1.0 111.007 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.06 -35.29 74.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.53 -39.17 81.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.773 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -59.84 -51.08 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.945 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.23 -36.71 77.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.614 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.4 tpp -60.85 -48.04 83.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.708 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.61 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.7 m-80 -65.16 -42.54 93.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.672 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.98 -44.69 91.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 1.0 110.931 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.68 -37.07 82.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.648 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.4 -37.14 60.67 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.935 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -66.77 -45.15 79.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.999 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -96.36 -3.54 43.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.42 50.0 61.98 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 pt -121.37 178.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 120.881 0.372 . . . . 1.0 110.486 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -142.65 125.59 16.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.479 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.17 139.03 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.426 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -77.13 145.76 37.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.454 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -66.14 -35.13 79.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.438 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -62.9 -34.95 78.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -81.52 -15.08 56.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.573 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.29 15.12 20.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.731 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.17 -38.4 78.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.797 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 35.4 p-10 -63.54 -7.79 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.697 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.416 HG22 HD12 ' A' ' 64' ' ' ILE . 46.2 mm -75.55 127.22 36.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.456 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 17.1 m -138.76 -19.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 p -137.73 172.63 12.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.931 0.396 . . . . 1.0 110.472 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.4 mm -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.484 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.24 -46.51 76.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.466 -0.493 . . . . 1.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -59.69 -42.92 94.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.06 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.64 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.499 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.74 73.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.897 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.532 0.52 . . . . 1.0 111.022 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -69.07 -42.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.623 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.09 -55.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.141 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.61 -29.4 17.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 1.0 110.836 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.03 95.04 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.23 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.628 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.237 -0.653 . . . . 1.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.34 156.93 23.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.743 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -21.58 59.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.493 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.86 -44.72 65.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.473 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.9 m -63.31 -44.42 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.75 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.487 ' CD1' ' NE2' ' A' ' 68' ' ' GLN . 59.0 mt -56.59 -38.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.443 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.37 -40.57 96.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -61.6 -50.26 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.02 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 t -65.5 -46.19 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.445 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.594 ' HG ' ' N ' ' A' ' 11' ' ' ASP . 96.6 p -59.21 -40.95 87.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.63 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.594 ' N ' ' HG ' ' A' ' 10' ' ' SER . 28.2 t70 -61.37 -46.39 90.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.484 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.11 -43.05 85.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.414 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.92 -51.68 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.767 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -62.54 -36.78 83.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.943 0.402 . . . . 1.0 110.33 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.8 mt-10 -70.26 -38.94 75.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.5 mmmt -69.24 -36.44 77.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.486 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -88.44 -9.79 51.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.173 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 180.0 -170.65 0.15 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.92 -0.312 . . . . 1.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.8 mt -74.4 -23.79 59.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.03 53.09 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.13 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 1.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -97.05 4.34 51.44 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.566 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.61 133.74 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.317 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.9 t -117.86 131.02 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.959 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.46 133.9 61.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.892 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 162.99 26.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.235 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.34 66.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.467 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -88.14 -19.91 26.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.709 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.2 t -70.79 136.67 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 1.0 110.623 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -94.72 143.41 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.206 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -50.73 -33.68 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.701 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.28 -45.48 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.896 -0.322 . . . . 1.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.25 -35.28 79.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.62 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.48 -20.03 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.428 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.65 0.41 52.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.59 108.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.402 . . . . 1.0 110.449 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.424 ' O ' ' OG1' ' A' ' 41' ' ' THR . 97.1 m-20 -92.74 -166.07 1.46 Allowed 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.287 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -69.0 -40.24 78.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.174 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -66.09 -38.8 89.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.45 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.7 m-20 -77.68 -44.86 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.772 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 37' ' ' ASP . 53.8 m -46.0 -41.57 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.026 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -70.34 -32.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.32 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' ASP . 96.0 mt-10 -70.48 -37.18 74.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.771 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.33 -51.03 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.962 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.98 -40.71 88.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.507 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.0 ttm -55.97 -48.51 75.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.408 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.6 m-80 -65.08 -42.69 93.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.696 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.69 -41.94 95.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 1.0 110.581 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLY . 93.3 mt-10 -60.12 -42.25 94.36 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -74.26 -39.28 63.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.992 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.8 tm-20 -67.86 -42.32 81.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.94 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 73.6 m-85 -95.84 -7.24 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.522 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 60.27 47.31 91.73 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.43 163.42 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.649 0.262 . . . . 1.0 110.423 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.614 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -120.39 112.61 19.21 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.401 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.84 132.89 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.867 0.365 . . . . 1.0 110.023 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -82.27 150.68 27.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.283 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.35 -33.6 76.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 48.4 p-10 -62.9 -35.51 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.97 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.6 mptt -81.79 -14.36 56.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.861 0.362 . . . . 1.0 110.11 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.93 7.88 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -68.41 -38.15 81.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.902 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 27.3 p-10 -65.08 -6.76 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.38 125.29 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.449 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.3 p -120.44 -44.29 2.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.397 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.6 p -127.53 176.81 7.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.799 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.6 mm -58.97 -45.47 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.131 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.487 ' NE2' ' CD1' ' A' ' 6' ' ' ILE . 5.8 mm-40 -53.68 -41.68 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.571 -0.451 . . . . 1.0 110.108 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -59.27 -45.08 92.2 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.229 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.21 -41.72 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.489 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.72 -36.28 82.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.749 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.29 -39.44 92.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.37 -45.29 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.81 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.52 -56.8 14.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.184 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.457 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.22 -33.23 8.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.18 97.59 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.2 mt -64.13 -42.53 96.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 1.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.538 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.524 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.424 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -79.73 171.16 15.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.243 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -29.64 69.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.73 -51.04 64.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.807 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -59.18 -41.04 87.51 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.878 0.37 . . . . 1.0 110.582 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.419 HG21 HD12 ' A' ' 6' ' ' ILE . 92.6 mt -61.14 -41.69 90.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.223 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.46 -41.15 93.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.599 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -63.08 -47.79 81.38 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.981 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.7 t -65.45 -45.99 91.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.793 0.33 . . . . 1.0 110.201 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.5 p -61.85 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 1.0 110.525 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.13 -44.53 96.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.786 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.04 -44.01 81.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.161 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.64 -55.63 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -53.71 -35.39 61.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.7 mm-40 -72.97 -39.25 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.903 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HA ' ' HZ3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -67.41 -37.75 83.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.732 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.99 -12.36 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.479 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.47 -161.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 1.0 110.32 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 10.3 mp -80.93 -22.94 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.824 0.345 . . . . 1.0 110.276 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.97 -6.88 79.89 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.65 -42.43 14.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 1.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -101.65 11.91 38.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.3 t -123.47 133.29 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 1.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.26 126.19 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.055 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.89 137.96 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -138.23 163.17 32.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.75 -15.63 61.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.814 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -100.32 -7.95 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -76.56 129.17 36.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 110.828 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.21 147.3 29.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.617 . . . . 1.0 110.396 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -60.61 -42.44 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.735 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.7 m -59.79 -40.9 89.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.753 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.14 -37.47 85.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.964 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.02 -21.29 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.396 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.56 -2.21 34.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.308 -0.717 . . . . 1.0 111.308 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.86 108.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.054 0.454 . . . . 1.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -92.05 -176.03 4.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.195 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.66 -45.28 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.651 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -66.44 -35.45 80.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 1.0 110.322 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -80.06 -51.6 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.045 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -48.17 -43.84 31.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.829 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.86 -32.68 59.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 1.0 109.839 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.63 -33.74 71.33 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.317 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.8 -50.91 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.179 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.93 -34.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.32 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 tpp -60.0 -48.49 81.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.238 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -65.79 -42.35 90.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.021 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.11 -42.18 96.98 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.89 -39.61 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.016 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.56 -40.98 63.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.22 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -71.05 -41.77 70.32 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 1.0 110.915 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -90.39 -6.95 54.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.18 48.11 87.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.516 -0.634 . . . . 1.0 111.516 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.87 -174.22 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.905 0.383 . . . . 1.0 110.756 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -148.11 124.04 10.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.304 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.02 137.73 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.985 0.421 . . . . 1.0 110.531 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -79.3 153.19 30.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.531 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.0 -34.59 78.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.581 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -60.29 -44.46 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' A' ' 62' ' ' GLN . 28.7 mtmm -66.12 -40.81 90.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.555 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.48 24.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.526 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.93 -32.84 40.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.718 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.38 -8.52 40.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.642 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.41 HD11 HG23 ' A' ' 64' ' ' ILE . 32.3 mm -71.74 130.09 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.649 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -130.2 -30.64 1.94 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.489 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.9 p -128.68 174.87 9.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.003 0.43 . . . . 1.0 110.362 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.8 mm -61.51 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.915 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.637 HE21 ' C ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -64.55 -33.09 75.11 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.126 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.588 ' N ' ' NE2' ' A' ' 68' ' ' GLN . 44.6 mm-40 -53.23 -45.91 68.92 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 119.844 -0.743 . . . . 1.0 109.128 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.7 81.76 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.946 -0.761 . . . . 1.0 108.946 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.93 82.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.287 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 98.1 m-20 -61.9 -42.68 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.781 0.324 . . . . 1.0 111.162 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.3 t -63.55 -43.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.596 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.0 -46.7 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.613 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.89 -36.52 65.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.975 0.417 . . . . 1.0 110.469 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.45 98.88 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.054 -0.818 . . . . 1.0 111.054 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -40.9 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.673 0.273 . . . . 1.0 110.645 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp -62.67 -40.68 97.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.076 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.06 -34.14 77.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.591 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -61.32 -45.76 93.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.808 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -84.23 146.52 27.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.447 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.687 179.686 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.466 ' C39' ' O35' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 166.89 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.171 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.578 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.13 -43.3 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.585 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.9 m -61.25 -44.69 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' CD1' HE21 ' A' ' 68' ' ' GLN . 56.0 mt -61.94 -43.62 97.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.239 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -63.45 -51.6 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.184 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.6 -46.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.608 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 11' ' ' ASP . 78.2 p -59.37 -42.83 92.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.85 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' N ' ' HG ' ' A' ' 10' ' ' SER . 30.9 t70 -59.95 -46.21 90.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.08 0.467 . . . . 1.0 110.953 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -43.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.7 t -58.56 -55.07 25.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.376 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ALA . 2.2 pttm -64.15 -29.62 70.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 123.547 0.53 . . . . 1.0 110.487 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.1 tt0 -62.32 -39.7 93.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.244 0.545 . . . . 1.0 110.384 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 10.1 mtpp -75.29 -32.7 61.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.112 0.482 . . . . 1.0 110.61 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 mt -95.46 -6.73 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.79 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -174.25 -167.68 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.563 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.5 mm? -86.0 -23.5 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.8 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.86 7.64 86.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.11 -62.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 1.0 110.575 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -91.7 14.07 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.541 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -113.25 133.3 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 1.0 110.272 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.9 133.73 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.09 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.6 t -116.43 141.08 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.756 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -135.1 155.56 50.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.435 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -26.48 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.89 -7.05 57.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 p -72.71 134.95 45.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.939 0.4 . . . . 1.0 110.577 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -93.97 143.41 26.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.327 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -55.06 -31.16 60.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.726 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -59.03 -46.06 89.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.763 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 10.8 mptt -63.36 -37.1 85.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.689 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.1 -18.36 65.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.406 0.441 . . . . 1.0 110.32 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.29 44.27 5.05 Favored Glycine 0 N--CA 1.461 0.33 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.62 107.2 19.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 1.0 110.291 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' O ' ' OG1' ' A' ' 41' ' ' THR . 97.6 m-20 -90.32 -179.02 5.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.46 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.29 -44.84 92.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.13 -39.61 82.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.605 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.403 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 14.7 m-20 -74.29 -49.43 23.11 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 37' ' ' ASP . 8.0 p -48.54 -39.33 23.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.434 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.568 ' O ' ' SD ' ' A' ' 46' ' ' MET . 41.5 t -64.14 -47.1 91.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.301 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 93.6 mt-10 -55.87 -30.94 62.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 1.0 110.51 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.36 -42.62 87.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.81 -55.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.298 -178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.568 ' SD ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -61.68 -38.85 89.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.1 m-80 -62.95 -50.08 72.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.8 -43.72 71.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.753 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.22 -37.57 77.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -74.51 -35.82 63.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -66.27 -44.1 84.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.75 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -98.31 -0.45 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.57 53.7 27.73 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.3 pt -123.02 162.56 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 1.0 110.497 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -123.47 122.0 37.13 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.418 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.94 141.53 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.67 143.27 40.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.608 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -66.86 -32.18 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.58 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.49 -29.29 69.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.526 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -82.0 -14.38 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.644 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.25 16.17 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.55 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.43 ' OE1' ' O40' ' A' ' 101' ' ' PNS . 96.9 mm-40 -71.53 -37.6 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.799 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.61 -2.73 5.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.43 HD11 HG21 ' A' ' 64' ' ' ILE . 51.4 mm -75.64 128.12 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.703 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -129.5 -40.99 1.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -123.72 176.78 6.05 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.919 0.39 . . . . 1.0 110.441 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 67' ' ' ILE . 43.9 mm -60.39 -46.65 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.562 HE21 ' CD1' ' A' ' 6' ' ' ILE . 3.0 mm-40 -54.79 -40.59 69.62 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.577 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -58.64 -46.27 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.166 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.88 90.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.521 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.97 85.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.45 -40.33 94.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.008 0.432 . . . . 1.0 110.525 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 82.0 t -74.36 -44.68 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.649 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.406 HG21 HD12 ' A' ' 74' ' ' ILE . 97.5 mt -64.89 -53.91 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.228 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.09 -36.89 66.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.493 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.07 98.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.14 -39.38 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.94 0.4 . . . . 1.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.5 -39.81 92.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.613 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -53.36 -27.95 26.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -61.47 -45.36 94.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.516 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -88.44 145.56 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.554 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.959 -1.019 . . . . 1.0 110.571 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.506 ' C34' ' N41' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.484 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -73.74 164.53 26.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 1.0 109.922 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -65.53 -14.26 60.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.52 -0.764 . . . . 1.0 110.686 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -77.88 -46.66 20.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.616 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m -60.95 -40.85 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.63 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.75 -42.01 87.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.251 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.23 -41.44 96.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -62.33 -48.63 78.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.37 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.26 -46.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -62.93 -36.16 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 1.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.22 -43.5 97.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.647 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.47 -42.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 1.0 110.848 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.82 -49.94 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.438 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -63.8 -31.92 73.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 1.0 110.662 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.9 tp10 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.847 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -34.74 69.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.505 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.8 mt -88.13 -7.38 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.026 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.59 -176.02 0.13 Allowed 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 120.918 0.39 . . . . 1.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.4 mm? -76.35 -22.92 54.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.587 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 -14.57 62.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.09 -49.76 54.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 1.0 110.704 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -100.64 6.67 44.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.78 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.195 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -122.15 132.39 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.88 136.15 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.176 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -130.72 162.94 28.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.511 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.5 66.14 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 57.9 t0 -86.28 -16.95 35.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.642 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -71.59 141.64 50.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.636 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -100.11 141.89 32.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.241 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -49.97 -41.39 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.696 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.96 -41.61 96.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.08 -37.8 86.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.804 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.64 -21.65 66.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.589 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.83 6.13 37.9 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 108.57 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' A' ' 38' ' ' SER . 32.2 t70 -91.42 -176.33 4.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.586 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -63.13 -39.64 95.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.634 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 mt -63.58 -40.79 97.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.606 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.2 -34.53 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.757 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 37' ' ' ASP . 99.2 m -45.39 -40.51 8.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.8 -178.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 p -66.91 -35.99 76.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 1.0 110.625 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.519 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 96.1 mt-10 -68.25 -37.67 80.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.7 mm -62.76 -48.7 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.71 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.85 -44.33 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.636 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.7 ttm -58.16 -45.91 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.774 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 3.1 m-80 -63.52 -44.01 95.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.891 0.377 . . . . 1.0 110.698 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 mt -66.04 -42.02 90.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.037 0.446 . . . . 1.0 110.857 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -57.91 -40.21 79.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.72 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -72.35 -39.23 68.26 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -67.83 -45.78 73.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.886 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -90.87 -5.22 55.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.561 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.97 52.44 46.72 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 pt -126.3 -172.41 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 1.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -151.67 112.13 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.412 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.16 138.78 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.592 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -76.7 146.59 37.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -62.97 -34.64 77.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.439 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 96.3 m-20 -61.68 -40.86 96.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.487 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.4 mtpm? -66.3 -41.4 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.879 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.53 26.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.028 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.494 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.91 -28.57 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.716 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -75.67 -2.77 31.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.571 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.1 mm -77.26 129.07 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 32.2 t -129.77 -27.35 2.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.8 p -133.62 173.76 11.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.529 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.9 mm -61.88 -44.0 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.368 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -55.65 -47.0 77.4 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.745 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.534 ' OE1' ' N ' ' A' ' 65' ' ' SER . 80.7 mt-30 -55.78 -41.81 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.093 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.74 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.71 86.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.771 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.53 -42.91 99.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.1 t -69.63 -44.5 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.583 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.27 -60.7 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.264 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.79 -31.07 25.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.662 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.66 -32.35 83.17 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.75 -0.94 . . . . 1.0 110.75 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 81' ' ' LYS . 85.2 mt -72.81 -39.06 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 1.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.0 mm? -60.78 -43.5 98.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.922 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.65 -38.31 80.35 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.713 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -128.38 61.61 1.47 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.608 0.718 . . . . 1.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' LEU . 48.6 mtpt -60.35 146.06 45.59 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.994 -1.003 . . . . 1.0 110.374 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.063 -0.97 . . . . 1.0 110.52 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 168.67 19.21 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.318 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -61.93 -29.84 70.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -67.49 -49.89 61.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.532 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 m -60.34 -42.77 96.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.771 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.89 -39.69 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.102 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -60.74 -43.4 97.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.479 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -60.78 -52.4 65.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.75 -45.29 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.396 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 t -61.66 -41.14 97.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -60.27 -43.85 95.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.579 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -42.83 78.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 1.0 110.595 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.98 -50.68 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.21 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.0 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.617 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.4 mt-10 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.667 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.0 mmmt -71.35 -36.08 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.125 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.76 -14.26 42.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.854 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.7 -157.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 1.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -84.78 -17.93 36.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.47 -22.77 33.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.6 -39.22 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 1.0 110.607 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 48.1 t0 -84.83 -3.57 58.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.496 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.1 151.19 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.39 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -121.74 127.96 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.097 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.0 t -116.5 134.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.608 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -136.14 163.18 30.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.609 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.32 63.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 51.1 t0 -88.42 -17.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.607 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 p -71.65 143.32 49.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.607 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.99 145.85 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.375 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -53.64 -42.71 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.768 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.4 m -61.61 -41.87 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.39 -38.24 88.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.893 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.96 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.68 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.33 -9.17 30.9 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.99 109.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 1.0 110.533 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.2 t0 -91.84 -171.51 2.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.954 0.406 . . . . 1.0 110.504 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.59 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -62.96 -40.17 96.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.505 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' OE1' ' A' ' 43' ' ' GLU . 5.3 mp -69.11 -40.34 78.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.03 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.46 -42.76 67.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.278 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -45.88 -32.25 2.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.513 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 t -67.16 -43.19 88.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.187 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 14.0 mp0 -68.31 -36.95 80.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -62.99 -52.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.029 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.9 p -67.95 -42.38 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.6 ttm -59.0 -45.09 91.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.518 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -65.76 -43.27 89.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.1 -43.26 95.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.743 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.07 -37.5 80.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.826 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -74.93 -36.77 62.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.83 -44.33 85.89 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.595 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -97.76 -2.59 40.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.617 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.11 52.8 44.57 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.0 pt -125.45 152.55 32.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.76 0.314 . . . . 1.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -111.23 114.29 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.583 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.58 132.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.567 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -81.29 142.52 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.465 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -60.82 -26.78 67.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.74 -40.26 91.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.363 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.63 -13.0 58.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.42 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.92 7.96 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.627 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -69.51 -39.81 77.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.955 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 53.6 t0 -65.06 -7.91 14.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.0 mm -79.8 130.76 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.72 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.54 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 16.5 m -139.03 -24.2 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.525 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.8 p -132.94 171.48 13.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.516 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.4 mm -60.94 -43.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.629 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -56.08 -47.0 78.82 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.765 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.54 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -57.38 -42.09 81.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.071 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.9 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.36 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.62 71.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 1.0 110.704 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.5 -38.32 86.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.536 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.2 t -76.48 -45.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.74 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.76 -55.59 22.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.041 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.8 pp20? -48.68 -36.34 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.565 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.444 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.38 -40.96 98.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.67 -42.58 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.635 0.255 . . . . 1.0 110.722 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 81' ' ' LYS . 9.6 mp -60.74 -41.79 96.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.433 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.21 -35.7 81.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.505 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.4 -45.73 93.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.652 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 78' ' ' LEU . 57.5 pttt -97.89 160.31 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.615 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.022 -0.99 . . . . 1.0 110.658 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.434 ' O27' ' C34' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.057 -0.72 . . . . 1.0 109.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 159.31 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.902 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.53 -16.68 61.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.462 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 9.3 tm-20 -75.16 -44.84 44.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 1.0 110.661 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.605 ' CD1' HE21 ' A' ' 68' ' ' GLN . 57.1 mt -60.38 -42.9 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.159 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.42 -39.99 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.489 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -63.92 -53.02 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 1.0 111.263 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.52 -44.79 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.242 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.3 p -59.57 -40.51 87.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 1.0 110.576 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.19 -43.18 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.333 0.587 . . . . 1.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.9 mt -68.66 -41.96 82.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.371 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.04 -54.69 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.088 -0.505 . . . . 1.0 112.044 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -58.64 -37.13 75.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.936 0.398 . . . . 1.0 110.732 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' ALA . 93.7 mt-10 -72.13 -35.69 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.653 ' HZ3' ' ND2' ' A' ' 47' ' ' ASN . 17.7 mmmt -71.83 -35.66 69.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.541 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -89.12 -12.54 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.011 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.52 -162.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 1.0 110.493 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.9 mt -77.51 -23.02 50.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.615 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.85 -23.18 37.12 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.16 -29.18 17.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.753 0.311 . . . . 1.0 110.808 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.17 -1.19 57.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.97 152.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -127.4 126.35 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.052 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 p -119.26 140.9 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.246 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -133.63 161.9 33.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.522 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.39 -23.55 49.93 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.174 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -94.97 -9.04 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.792 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 t -74.2 137.7 43.26 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.781 0.324 . . . . 1.0 110.461 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -90.55 147.7 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -59.72 -39.85 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.571 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.56 -37.07 84.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.739 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -63.03 -39.99 96.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.59 -16.2 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.295 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.42 -1.39 37.16 Favored Glycine 0 N--CA 1.464 0.556 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.904 -0.318 . . . . 1.0 110.329 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.585 ' CG ' ' H ' ' A' ' 38' ' ' SER . 42.4 t0 -94.4 -172.84 2.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.079 0.466 . . . . 1.0 110.473 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.585 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.13 -31.72 71.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.9 m-20 -81.75 -47.63 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.996 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 p -45.65 -40.75 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.045 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.83 -33.95 58.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.303 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ASP . 94.4 mt-10 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.675 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.29 -46.43 95.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.573 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.6 -43.57 83.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.17 -47.28 78.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.802 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.653 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 1.5 m-80 -64.07 -42.84 96.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.713 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.1 -42.18 94.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.843 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -58.42 -39.86 80.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.726 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -75.2 -36.11 61.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 14.0 tm-20 -65.97 -44.7 84.19 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.098 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 96.5 m-85 -98.54 -5.81 31.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.498 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 45.68 95.29 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.255 -0.738 . . . . 1.0 111.255 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.05 -168.13 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.82 0.343 . . . . 1.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.27 124.7 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.2 131.34 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 54.8 t0 -78.68 150.65 32.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 98.4 mt-10 -62.44 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.09 -41.61 99.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.785 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.9 mttp -66.39 -39.27 88.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.745 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.51 23.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 1.0 111.145 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 60' ' ' LYS . 83.9 mm-40 -82.94 -31.07 27.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.14 1.08 29.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.704 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 HG23 HD13 ' A' ' 64' ' ' ILE . 48.7 mm -85.95 126.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.04 0.447 . . . . 1.0 110.515 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.525 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 3.1 m -133.2 -17.91 2.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.279 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 23.2 p -137.76 168.75 19.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.926 0.393 . . . . 1.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.0 mm -61.84 -43.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.596 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.605 HE21 ' CD1' ' A' ' 6' ' ' ILE . 2.2 mm-40 -56.28 -44.33 79.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 66' ' ' THR . 86.2 mt-30 -58.71 -40.96 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.83 94.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.6 78.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -61.95 -41.33 97.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.7 t -73.13 -44.38 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.613 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.5 -58.71 6.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.44 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.0 -31.53 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.61 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -42.3 99.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.0 -41.39 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 1.0 110.729 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 9.7 mp -60.67 -41.85 95.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.441 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.42 -34.25 77.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.384 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 81' ' ' LYS . 17.4 ttmm -74.83 -72.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.029 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 82' ' ' ALA . 24.2 mmtp 43.57 -169.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.972 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.098 -0.954 . . . . 1.0 110.473 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.412 ' S44' ' O40' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.454 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.493 ' H ' ' CD ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -75.96 166.97 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.059 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.696 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.627 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.452 ' OG1' ' OE2' ' A' ' 75' ' ' GLU . 96.3 m -60.9 -45.76 93.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 1.0 110.887 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.87 -36.14 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.5 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -64.02 -39.33 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.621 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -65.45 -52.41 53.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.04 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 t -65.71 -46.31 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.654 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.7 p -60.99 -38.09 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.677 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -62.88 -43.73 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.469 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.8 -43.53 69.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.858 0.361 . . . . 1.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.74 -51.4 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.421 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -64.29 -32.68 74.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.935 0.398 . . . . 1.0 110.775 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' A' ' 18' ' ' ALA . 49.4 tp10 -73.74 -39.55 64.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.743 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -32.98 65.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.411 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -93.78 -0.8 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.001 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 175.62 -172.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.515 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 10.5 mp -72.43 -24.59 61.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.446 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.14 -22.63 38.61 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.22 15.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.701 0.286 . . . . 1.0 110.769 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -96.1 8.4 43.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.731 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.38 151.02 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.36 121.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.105 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 p -117.66 136.38 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' OG ' ' A' ' 29' ' ' SER . 1.3 p -139.68 159.34 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.07 60.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.291 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 45.9 t0 -89.39 -10.37 46.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.606 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 26' ' ' THR . 67.6 p -76.2 139.89 41.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.568 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -94.03 148.89 21.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.289 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -58.25 -34.63 70.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -60.72 -44.26 96.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.85 -36.26 80.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.781 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.67 -14.94 63.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 -1.97 52.09 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.62 108.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.579 ' CG ' ' H ' ' A' ' 38' ' ' SER . 26.0 t70 -91.58 -173.61 3.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.466 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.579 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.68 -46.99 87.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.467 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 53.4 mt -67.04 -42.07 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.73 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -45.75 -38.38 6.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.705 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.77 -42.75 89.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.466 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -62.53 -37.58 86.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.373 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 44' ' ' ILE . 36.9 mm -64.02 -48.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.55 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.93 -42.58 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.366 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 tpp -58.24 -47.83 82.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.73 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.5 m-80 -62.93 -43.92 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.537 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.45 -43.28 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 1.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -58.45 -40.43 82.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -75.23 -36.52 61.31 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.793 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -66.55 -45.9 77.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.921 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -97.43 -2.0 43.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.686 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.4 48.27 76.94 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -121.19 -167.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.694 0.283 . . . . 1.0 110.357 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -142.89 115.29 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.25 131.89 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.0 t0 -102.01 152.88 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.283 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 81.4 tt0 -58.2 -37.63 75.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.292 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.7 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 98.0 m-20 -67.4 -20.02 65.48 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.61 ' C ' HE22 ' A' ' 62' ' ' GLN . 98.3 mttt -96.46 -19.57 19.05 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 123.354 0.409 . . . . 1.0 110.926 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.79 19.5 20.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.216 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.933 ' NE2' ' H ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -74.11 -26.53 60.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.973 -179.424 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.527 ' N ' ' OE1' ' A' ' 62' ' ' GLN . 25.4 t70 -80.44 2.1 26.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.522 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.3 mm -78.4 127.88 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.384 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 t -125.24 -40.45 2.13 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 p -128.89 169.33 14.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.412 HG22 HD11 ' A' ' 67' ' ' ILE . 44.7 mm -53.51 -44.77 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.335 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -55.51 -42.39 74.43 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.384 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -58.29 -46.21 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.199 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.05 -39.19 89.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.0 82.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 99.7 m-20 -60.87 -45.53 94.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.875 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.44 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.467 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.28 -48.48 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.308 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.452 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 64.2 mm-40 -47.87 -36.39 12.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 1.0 110.632 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.06 -43.55 99.29 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 1.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.31 -40.13 93.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.331 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.04 -41.69 63.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.622 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 82' ' ' ALA . 62.4 mttp -74.18 -51.25 16.09 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.182 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp 39.48 -92.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.938 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 80' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.551 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.501 ' H ' ' CD ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -74.26 149.42 40.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 1.0 109.864 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.518 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -53.51 -22.27 7.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.529 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -72.37 -46.84 53.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.631 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -60.59 -43.08 97.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.643 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.648 ' CD1' HE21 ' A' ' 68' ' ' GLN . 56.3 mt -55.79 -39.83 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.359 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.674 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -63.84 -46.58 84.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.035 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.0 -45.73 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -62.04 -47.21 85.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.998 -0.281 . . . . 1.0 110.647 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -50.43 -45.54 55.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.712 0.632 . . . . 1.0 110.727 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.13 -42.66 81.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.743 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.7 t -64.29 -50.95 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.724 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.41 -34.61 78.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 1.0 110.864 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.5 mm-40 -67.77 -36.83 81.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.29 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.669 ' NZ ' HD22 ' A' ' 47' ' ' ASN . 18.8 mmmt -72.63 -35.76 67.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.81 -12.59 38.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.719 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.13 -152.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 53.5 mt -94.98 -22.04 18.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.94 -18.54 55.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.09 -32.15 18.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.692 0.282 . . . . 1.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -94.78 -3.38 49.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.6 p -132.1 154.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.36 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -126.72 130.54 71.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.172 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -116.73 134.89 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.193 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.453 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 1.4 p -131.96 162.06 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.15 -24.5 54.68 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.559 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 39.3 t0 -88.66 -8.04 55.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.453 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 7.6 m -77.54 134.26 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.778 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -93.0 143.4 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -55.74 -41.6 74.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.761 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -61.49 -39.16 89.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -62.14 -39.92 94.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.15 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.29 -16.22 63.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.625 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.04 -7.57 33.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.05 -0.82 . . . . 1.0 111.05 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.28 109.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.846 -0.342 . . . . 1.0 110.4 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.597 ' CG ' ' H ' ' A' ' 38' ' ' SER . 41.6 t0 -92.9 -171.21 2.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.541 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.597 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -60.52 -45.73 92.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' OE1' ' A' ' 43' ' ' GLU . 83.3 mt -66.13 -39.26 89.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.007 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -73.15 -47.23 45.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.64 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -47.36 -34.5 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.099 0.476 . . . . 1.0 110.605 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -64.66 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.901 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 4.4 mp0 -68.02 -30.18 69.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.895 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.42 -46.19 80.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.173 -0.467 . . . . 1.0 112.186 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' CG2' ' OE2' ' A' ' 49' ' ' GLU . 2.1 p -61.59 -49.07 85.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.943 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 47' ' ' ASN . 20.8 ptp -62.59 -38.74 91.3 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.951 -0.299 . . . . 1.0 111.12 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.669 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 2.9 m-80 -62.26 -43.48 98.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.387 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.94 -43.11 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.075 0.464 . . . . 1.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' OE2' ' CG2' ' A' ' 45' ' ' VAL . 92.7 mt-10 -57.91 -36.79 72.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.795 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -73.05 -38.77 66.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.743 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -69.74 -45.96 66.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.919 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -86.49 -7.26 58.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.518 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.02 48.49 85.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.285 -0.726 . . . . 1.0 111.285 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 pt -126.15 -167.11 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.79 0.329 . . . . 1.0 110.427 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -149.48 117.36 6.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.426 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.7 t -127.68 131.35 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.36 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -74.29 148.15 41.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.334 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.03 -36.38 83.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.559 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.82 -40.51 97.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 62' ' ' GLN . 98.4 mttt -66.72 -39.84 88.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 1.0 110.858 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 16.75 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.196 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' A' ' 60' ' ' LYS . 86.5 mm-40 -78.03 -39.27 42.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -66.3 -17.86 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.413 HG22 HD13 ' A' ' 64' ' ' ILE . 48.3 mm -66.09 128.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.351 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 19.9 m -130.97 -23.77 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.427 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 p -134.64 172.08 13.44 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.87 0.367 . . . . 1.0 110.431 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.7 mm -62.42 -43.45 98.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.624 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.648 HE21 ' CD1' ' A' ' 6' ' ' ILE . 1.8 mm-40 -56.72 -44.51 81.66 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.54 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.0 mt-30 -57.7 -41.43 81.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.954 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.55 89.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.502 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.62 81.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -42.73 99.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.39 -43.71 80.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.565 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.34 -60.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.311 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.1 -34.68 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.735 0.303 . . . . 1.0 110.742 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.3 -41.06 96.67 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -64.22 -40.71 96.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 1.0 110.704 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? -61.43 -40.43 94.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.434 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.44 -33.52 63.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.632 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -61.48 -31.09 71.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.517 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -72.6 -169.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.534 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.957 -1.02 . . . . 1.0 110.63 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.526 ' O40' ' N36' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' CG ' ' H ' ' A' ' 5' ' ' THR . 16.7 ptmt -136.91 170.12 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.485 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -31.98 73.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.677 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -69.39 -46.97 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.735 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.433 ' H ' ' CG ' ' A' ' 2' ' ' LYS . 99.3 m -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.407 HD12 HG22 ' A' ' 6' ' ' ILE . 97.1 mt -61.4 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.095 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.2 -42.56 98.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.731 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -63.38 -49.4 73.98 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.694 -0.402 . . . . 1.0 111.09 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.36 -45.64 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 1.0 109.953 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -61.43 -38.07 85.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.791 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.7 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.994 0.426 . . . . 1.0 110.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mt -71.78 -42.9 70.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.725 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.72 -50.9 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.687 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -62.87 -33.81 76.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.93 0.395 . . . . 1.0 110.409 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 48.6 tp10 -70.66 -37.68 73.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 18.6 mmmt -72.11 -33.52 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.379 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -92.29 -3.06 55.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.006 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.38 -171.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 1.0 110.482 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.94 -23.24 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.441 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.24 80.13 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 -47.17 5.06 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.768 0.318 . . . . 1.0 110.978 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.78 9.98 10.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.828 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 p -131.4 155.67 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.363 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -124.44 129.78 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.01 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.23 139.27 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -138.63 158.48 44.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.261 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.4 65.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.199 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 43.4 t0 -87.89 -9.14 54.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.778 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 p -72.52 141.7 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.422 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -95.37 143.73 26.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.121 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -55.11 -40.93 71.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.166 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -65.15 -35.35 80.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.148 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.48 -37.69 87.57 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 120.876 0.37 . . . . 1.0 110.588 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.98 -6.63 28.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.334 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 19.23 32.44 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.49 109.33 12.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.706 0.288 . . . . 1.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -89.45 174.8 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.35 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -59.68 -36.81 77.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.7 mt -68.32 -33.72 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.841 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -82.04 -39.37 23.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 1.0 110.89 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 38' ' ' SER . 4.1 p -45.86 -39.09 8.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.91 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 p -65.12 -36.86 78.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.156 0.503 . . . . 1.0 110.235 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.47 -37.9 77.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mm -61.29 -50.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.733 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.45 -39.3 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.572 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.4 ttm -59.53 -48.56 81.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.757 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -64.29 -42.16 96.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.667 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.72 -41.89 95.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.578 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -38.51 89.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.096 0.474 . . . . 1.0 110.35 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.48 -38.98 62.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.103 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -70.44 -42.72 71.16 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.911 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.96 -7.28 49.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.484 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 49.57 67.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.8 pt -124.88 163.9 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.559 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -127.53 120.17 27.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.429 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.61 138.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.168 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.9 t0 -70.65 143.05 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.272 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.4 tm-20 -65.75 -34.03 77.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.63 -31.26 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -79.72 -14.9 58.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.798 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.2 12.88 18.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' C ' ' H ' ' A' ' 64' ' ' ILE . 96.7 mm-40 -70.01 -39.31 75.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.916 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -64.58 -1.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.595 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.439 ' H ' ' C ' ' A' ' 62' ' ' GLN . 51.2 mm -79.71 127.99 38.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.489 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -128.1 -39.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -128.43 173.93 9.78 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.766 0.317 . . . . 1.0 110.502 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.5 mm -57.94 -44.91 87.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.596 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.79 -41.15 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.154 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -58.24 -44.16 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.232 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.09 86.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.349 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.5 86.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.668 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -40.21 96.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.436 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.89 -46.34 40.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.666 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.28 -55.34 23.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.353 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -50.79 -33.08 21.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 1.0 110.714 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.48 99.51 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.5 -41.4 96.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 1.0 110.666 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.0 mm? -61.7 -41.94 98.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.427 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.58 -25.96 66.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.554 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -60.0 -29.87 68.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.54 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -59.07 -42.67 90.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.408 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.055 -0.974 . . . . 1.0 110.706 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.84 170.97 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.09 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -29.05 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.404 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.38 -47.68 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.863 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -61.8 -42.66 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.71 -40.07 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.69 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.53 -42.99 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.742 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -60.72 -50.97 71.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.103 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.96 -45.48 87.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.406 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.8 p -59.88 -39.43 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.52 -0.309 . . . . 1.0 110.963 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.98 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.04 0.447 . . . . 1.0 110.622 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -71.43 -42.85 73.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.53 -51.05 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.969 -178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.85 -32.5 74.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.724 -0.39 . . . . 1.0 109.982 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 18' ' ' ALA . 42.6 tp10 -71.12 -40.09 71.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.744 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.713 ' HZ3' HD22 ' A' ' 47' ' ' ASN . 0.1 OUTLIER -68.88 -36.3 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.591 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.82 -8.3 49.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.357 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -179.35 -167.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 9.9 mp -81.86 -22.37 36.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 1.0 110.261 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.25 9.14 76.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.46 -61.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 1.0 110.689 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.02 3.45 55.72 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.694 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.84 132.99 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.3 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -119.81 128.93 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.067 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 p -118.4 144.59 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.304 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -137.11 161.95 34.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.315 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.39 67.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -87.19 -10.49 52.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -73.32 154.75 39.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.366 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -107.32 146.76 31.15 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.21 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -57.71 -41.69 82.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.42 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -61.95 -40.56 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.669 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -60.13 -37.11 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.49 -5.06 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.509 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.62 16.54 45.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.268 -0.733 . . . . 1.0 111.268 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.07 108.1 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 1.0 110.414 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 29.5 p30 -98.35 -172.18 2.29 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.537 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.27 -44.75 92.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.734 -0.667 . . . . 1.0 110.446 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.05 -32.72 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.746 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 97.5 m-20 -84.24 -53.21 5.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 1.0 110.856 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 37' ' ' ASP . 11.4 p -45.57 -41.58 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 1.0 111.545 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.68 -35.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.941 0.4 . . . . 1.0 109.991 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 96.7 mt-10 -70.47 -37.39 74.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.773 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -60.7 -51.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.912 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.31 -43.56 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 1.0 110.692 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.3 ttp -59.56 -45.86 90.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.834 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.713 HD22 ' HZ3' ' A' ' 16' ' ' LYS . 53.1 m-80 -64.92 -42.41 94.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.771 0.319 . . . . 1.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.32 -42.54 96.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.899 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -57.48 -39.51 76.56 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.352 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.17 -37.29 69.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.984 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.94 -43.64 87.45 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.882 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -96.94 -1.68 45.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.671 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.97 51.82 47.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.47 156.06 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.876 0.37 . . . . 1.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -119.71 121.51 39.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.83 141.41 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.237 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -73.94 148.63 42.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -66.96 -35.27 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.737 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.6 p30 -62.31 -38.45 89.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 1.0 110.749 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.3 mttp -66.76 -40.08 88.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.23 14.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.158 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' H ' ' C ' ' A' ' 60' ' ' LYS . 76.1 mm-40 -71.26 -39.93 71.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.953 0.406 . . . . 1.0 111.0 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 49.5 t0 -63.5 -1.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.447 ' H ' ' C ' ' A' ' 62' ' ' GLN . 51.3 mm -78.44 126.7 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.333 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 p -127.27 -40.99 1.78 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.382 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.0 p -124.6 173.48 8.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.479 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.03 -45.16 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.559 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -53.92 -41.79 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.335 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -58.94 -45.68 89.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.305 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.68 91.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.22 90.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.695 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.69 -41.38 99.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 1.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.4 t -70.95 -45.84 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.75 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.16 -51.82 67.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.156 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -64.84 -33.24 75.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.099 0.476 . . . . 1.0 110.352 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.33 -23.59 64.62 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -84.97 -45.44 12.18 Favored 'General case' 0 N--CA 1.46 0.066 0 CA-C-O 121.163 0.506 . . . . 1.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 81' ' ' LYS . 3.8 mt -63.32 -41.89 98.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.311 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -48.2 -39.03 19.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.774 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.42 -42.3 95.75 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.595 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 78' ' ' LEU . 16.6 ptpt -97.64 149.5 22.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.016 0.436 . . . . 1.0 110.568 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.802 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.4 ' O27' ' C34' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 157.33 22.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.846 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.06 -16.03 58.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.536 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 11.0 tm-20 -76.67 -43.65 37.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 m -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.537 ' CD1' HE21 ' A' ' 68' ' ' GLN . 55.2 mt -57.2 -38.83 63.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.04 -42.15 98.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.464 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -64.52 -48.99 73.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 1.0 110.938 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.58 -46.1 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.417 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.36 -40.54 94.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.064 0.459 . . . . 1.0 110.78 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.36 -41.85 78.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.7 -51.39 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.509 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -63.2 -36.69 84.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.92 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' ALA . 66.5 mm-40 -71.82 -34.7 69.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.5 mmmt -73.2 -32.83 65.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.412 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.58 -2.15 52.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.115 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.37 -170.77 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.607 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 62.6 mt -70.33 -23.98 62.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.695 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.96 -23.05 37.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.66 -29.22 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 1.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -94.81 4.68 53.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.786 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 p -131.13 154.45 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.339 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.0 t -126.37 125.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 109.96 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -118.08 134.98 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.417 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -134.46 161.44 35.03 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.589 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.34 66.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -86.61 -9.67 55.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.673 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -76.88 146.44 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.573 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.11 141.34 35.11 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.317 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -50.39 -39.37 46.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.517 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.8 p -62.62 -39.26 93.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.664 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -62.6 -38.06 88.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.77 -20.09 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.49 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.52 0.7 37.38 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 108.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.918 -0.313 . . . . 1.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -93.42 -176.19 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.47 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.26 -45.47 93.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.455 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.22 -37.65 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.573 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -78.65 -47.6 16.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 m -46.0 -45.48 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.017 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 p -64.55 -32.64 58.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.406 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' CG ' ' HZ2' ' A' ' 16' ' ' LYS . 1.2 tp10 -71.94 -35.17 69.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.481 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.43 -50.44 80.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.833 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.7 p -66.94 -42.5 88.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.6 ttp -56.33 -47.3 79.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.877 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.525 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -65.98 -43.02 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.8 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.22 -42.88 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.589 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -58.46 -37.98 76.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.554 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.75 -37.02 65.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.812 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.1 tm-20 -68.06 -43.85 77.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.075 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 80.3 m-85 -93.23 -3.58 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.552 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.34 54.91 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.5 pt -125.24 -167.62 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.819 0.343 . . . . 1.0 110.459 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.528 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -148.52 115.49 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -132.94 133.35 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.317 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -89.63 151.91 21.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.386 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -60.56 -36.34 78.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.625 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -62.32 -36.67 82.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.435 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -84.77 -15.04 46.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.78 10.66 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.732 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -68.63 -38.42 80.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.882 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -6.16 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.66 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.403 HG22 HD13 ' A' ' 64' ' ' ILE . 43.6 mm -78.69 126.38 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.577 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 p -123.93 -43.79 2.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.5 p -126.93 178.05 6.22 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.657 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.5 mm -59.77 -44.63 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.32 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.537 HE21 ' CD1' ' A' ' 6' ' ' ILE . 5.7 mm-40 -54.95 -42.73 72.68 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.596 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -56.93 -46.77 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.352 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.14 89.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.773 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -63.35 -39.96 95.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 1.0 110.544 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -73.21 -44.84 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.7 -49.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.149 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.06 -31.67 72.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.945 0.402 . . . . 1.0 110.76 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.83 -26.41 73.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.312 -0.715 . . . . 1.0 111.312 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 81' ' ' LYS . 56.5 mt -75.12 -34.22 61.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.719 0.295 . . . . 1.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.55 -43.06 99.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.822 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.64 -49.28 49.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.657 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 81' ' ' LYS . 7.7 ttpm? -69.71 -49.03 57.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.827 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 77' ' ' LEU . 39.7 mmtt 44.58 -171.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.743 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.336 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.482 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -63.48 146.71 53.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.094 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.421 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -52.31 -18.78 1.72 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.585 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.421 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 44.0 tt0 -75.31 -47.19 28.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.47 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 m -60.08 -42.23 94.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.497 ' CD1' ' NE2' ' A' ' 68' ' ' GLN . 53.0 mt -58.46 -40.39 78.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.326 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.61 -43.93 96.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.836 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.68 -49.26 77.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.924 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.2 -46.01 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.459 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -61.69 -40.46 95.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.583 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -60.02 -45.69 91.95 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 121.224 0.535 . . . . 1.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.12 -43.28 75.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.431 . . . . 1.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.96 -50.69 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.268 -178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.9 -33.36 75.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.694 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.1 mt-10 -67.62 -42.69 81.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.951 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' CB ' ' NZ ' ' A' ' 16' ' ' LYS . 2.3 mtpm? -70.82 -35.45 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.33 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.91 -2.54 57.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.933 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 174.19 -176.31 0.08 Allowed 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.494 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.6 mm? -82.94 -22.77 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.706 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.3 -5.23 84.27 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.08 -0.808 . . . . 1.0 111.08 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.45 -55.31 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 1.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -101.26 12.17 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.597 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.9 t -118.92 133.68 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.813 0.34 . . . . 1.0 110.185 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.15 129.1 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.86 140.04 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.668 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -140.29 161.37 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.676 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.53 -24.6 61.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.417 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 50.8 t0 -87.89 -19.13 27.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.549 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.9 t -71.66 138.67 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.61 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 97.6 mt-10 -87.83 166.3 14.68 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 120.958 0.409 . . . . 1.0 110.754 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -71.54 -36.73 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.972 0.415 . . . . 1.0 110.719 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 m -65.51 -42.97 91.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.264 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -62.94 -20.83 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.63 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.2 mt -82.41 -6.38 59.25 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.268 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.72 9.37 52.78 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -63.27 145.15 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 1.0 110.37 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 99.7 m-20 -142.64 -177.1 5.13 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.681 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.08 -43.9 95.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -70.18 -32.52 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.714 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 7.3 m-20 -84.24 -49.01 9.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.977 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' ASP . 8.1 p -45.87 -44.33 14.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.042 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.45 -38.37 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.46 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.473 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.2 mt-10 -66.71 -36.34 82.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.886 0.374 . . . . 1.0 110.589 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.82 -44.42 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.441 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.73 -46.48 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.25 -41.43 98.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-80 -66.4 -50.38 63.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.925 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.42 -43.87 93.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.754 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.3 -39.06 78.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -73.8 -33.16 64.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.687 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.63 -42.81 86.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.508 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.14 -1.89 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.538 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.12 50.24 65.86 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 111.145 -0.782 . . . . 1.0 111.145 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.5 pt -125.1 -168.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.397 . . . . 1.0 110.489 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 10.6 p30 -148.77 115.57 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.4 t -128.68 129.96 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.431 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.7 t0 -78.1 142.35 38.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 99.2 mt-10 -58.35 -35.34 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -65.12 -34.91 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.99 -15.24 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.565 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.77 11.72 23.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.511 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.457 ' C ' ' H ' ' A' ' 64' ' ' ILE . 95.7 mm-40 -69.66 -40.37 76.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.811 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 57.2 t0 -63.36 -1.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.449 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.457 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.7 mm -81.4 127.17 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.521 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 p -127.96 -39.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.502 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -127.38 174.51 8.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 67' ' ' ILE . 43.6 mm -58.85 -47.8 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.518 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.497 ' NE2' ' CD1' ' A' ' 6' ' ' ILE . 8.2 mm-40 -51.1 -40.03 57.5 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.18 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.279 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.47 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.709 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.718 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.58 -44.37 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.775 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.55 -44.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.764 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.51 -54.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.074 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -65.5 -32.69 74.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.423 . . . . 1.0 110.568 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.87 -27.6 64.64 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -78.01 -42.03 33.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -62.65 -40.26 96.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.527 -179.533 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.99 -34.15 69.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.576 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.26 -45.4 94.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.599 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 78' ' ' LEU . 53.9 pttt -98.29 150.44 21.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.698 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' OXT' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.64 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 161.99 32.09 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.117 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -31.98 70.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.653 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -65.0 -49.38 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.531 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.0 m -60.97 -42.06 97.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.829 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.22 -40.89 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.966 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.72 -42.53 97.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.565 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -62.58 -48.08 81.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.981 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.07 -46.81 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.051 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.56 -39.81 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.596 -0.274 . . . . 1.0 110.675 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.76 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.492 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -69.17 -43.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.01 0.433 . . . . 1.0 110.42 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.02 -49.01 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.619 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -65.62 -32.67 74.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.099 0.476 . . . . 1.0 110.361 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' ALA . 51.5 tp10 -69.24 -42.33 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.789 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -35.1 73.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.295 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.95 -11.67 52.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.874 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.47 -174.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.347 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.7 mt -72.6 -23.36 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.877 0.37 . . . . 1.0 110.54 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.19 -17.24 52.85 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.703 -0.959 . . . . 1.0 110.703 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -50.53 60.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 1.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -96.18 1.9 52.64 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.42 132.43 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.148 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -118.57 131.37 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.4 t -116.62 136.17 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -133.19 165.86 23.81 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.78 -23.53 65.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.502 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.4 -20.22 26.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 m -69.71 140.12 53.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.362 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -98.8 143.7 28.85 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -51.86 -40.91 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.852 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -61.21 -42.2 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 1.0 110.711 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -61.69 -38.19 86.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.76 -22.11 66.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.592 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 17.98 11.27 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 111.225 -0.75 . . . . 1.0 111.225 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.91 109.6 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 1.0 110.364 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -92.39 -168.55 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.543 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -61.81 -46.71 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.634 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.767 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.96 -44.74 91.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.0 m -46.36 -38.76 9.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 1.0 110.737 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.941 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 95.8 mt-10 -63.68 -39.35 94.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.678 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.7 mm -64.55 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 1.0 110.95 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.42 -44.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.367 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.66 -44.71 96.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.724 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.7 m-80 -64.89 -44.57 89.19 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.784 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.65 -42.24 91.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.032 0.444 . . . . 1.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.23 -39.77 87.87 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -73.86 -39.46 63.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -70.54 -44.03 68.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.719 -0.393 . . . . 1.0 110.882 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -88.44 -6.83 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.324 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.02 49.58 70.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.1 pt -127.59 162.63 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.838 0.352 . . . . 1.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -132.61 115.67 15.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.283 179.614 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.11 145.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.262 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.41 148.41 31.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.506 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -65.11 -37.27 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.5 p30 -50.38 -32.24 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.426 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.6 mttp -88.23 -13.28 41.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.343 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLU . . . -94.19 3.8 54.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.019 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 59' ' ' ASP . 2.4 pt20 -68.5 -37.75 80.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.864 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.63 -4.91 4.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.602 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.3 mm -79.48 127.78 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 53.7 p -126.61 -36.63 2.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.596 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.0 p -125.23 172.67 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.74 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.85 -44.02 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.372 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -54.37 -45.01 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.284 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 81.8 mt-30 -59.31 -40.93 87.81 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.999 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -42.03 84.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.355 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.26 -44.53 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.506 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.41 -60.47 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.115 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -48.93 -36.63 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.843 0.354 . . . . 1.0 110.663 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.93 -37.92 94.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 81' ' ' LYS . 87.5 mt -65.45 -39.6 92.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 1.0 110.849 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.509 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 4.1 mm? -60.94 -28.03 68.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.489 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.67 -44.16 74.63 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.514 -0.475 . . . . 1.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 82' ' ' ALA . 6.8 ptmm? -93.68 -35.44 12.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.965 0.412 . . . . 1.0 111.33 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 77' ' ' LEU . 60.2 mttp 58.26 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.476 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 80' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.034 -0.984 . . . . 1.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 139.99 30.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.35 -21.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.445 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -70.22 -45.64 66.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.2 m -64.51 -33.88 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.614 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 HG23 ' A' ' 6' ' ' ILE . 16.5 mm -61.36 -41.25 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.439 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.64 -41.13 97.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.66 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -58.15 -52.64 64.7 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.925 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 t -65.41 -45.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.404 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -60.22 -41.8 93.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.811 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.05 -46.2 90.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 1.0 110.592 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.34 -42.09 81.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.72 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.09 -53.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.479 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.47 -32.86 73.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.937 0.399 . . . . 1.0 110.527 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.0 tt0 -70.06 -39.92 75.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.885 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.666 ' HZ3' ' ND2' ' A' ' 47' ' ' ASN . 18.7 mmmt -69.62 -36.86 76.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.548 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.63 -12.21 51.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.022 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.91 -171.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.351 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 10.0 mp -78.69 -23.49 45.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.78 -15.8 60.81 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.0 110.919 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -96.63 3.32 52.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.781 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.23 134.27 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 1.0 110.28 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.8 p -116.87 128.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.157 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 p -117.26 146.07 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.384 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.426 ' O ' ' OG ' ' A' ' 29' ' ' SER . 1.2 p -139.13 158.95 43.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.461 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.24 -28.01 57.0 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.113 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 46.6 t0 -88.82 -11.02 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.677 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 26' ' ' THR . 57.2 p -66.75 143.32 57.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.366 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.37 144.01 28.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.261 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -57.15 -37.48 72.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.664 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.99 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.72 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -62.84 -39.89 95.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.3 mt -66.05 -20.43 66.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.78 6.17 37.98 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 108.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 1.0 110.437 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.624 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.0 t0 -101.25 -169.69 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.43 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.624 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.67 -44.92 96.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.397 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.87 -37.3 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.405 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -82.33 -49.15 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.075 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 37' ' ' ASP . 52.7 m -45.92 -45.3 15.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.459 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 p -63.51 -36.02 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.802 -0.359 . . . . 1.0 110.421 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.27 -34.22 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.584 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -60.72 -49.31 85.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.675 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.57 -44.2 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.967 0.413 . . . . 1.0 110.747 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.6 ttm -55.23 -48.41 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.856 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.666 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 1.9 m-80 -64.17 -44.19 92.84 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.949 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.01 -42.29 97.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.381 . . . . 1.0 110.704 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.85 -39.89 82.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -74.21 -36.12 63.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -66.36 -47.37 73.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -96.1 -2.76 45.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.588 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.31 45.52 82.88 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.4 pt -112.01 -170.93 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.868 0.366 . . . . 1.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -156.51 113.24 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.8 p -141.58 141.62 29.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.422 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -78.77 146.6 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.559 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.37 -33.72 76.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.592 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -51.49 -41.91 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.426 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.93 -13.38 59.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.24 6.03 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.685 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -67.6 -37.65 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 30.4 p-10 -64.95 -6.64 8.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.812 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.434 HD11 HG21 ' A' ' 64' ' ' ILE . 47.8 mm -76.94 127.7 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.325 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -124.37 -38.28 2.44 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.547 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -131.48 177.51 7.44 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.86 0.362 . . . . 1.0 110.398 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.75 -46.69 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.346 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.544 ' CA ' HE21 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -53.66 -41.24 66.62 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.42 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -59.44 -44.06 92.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.347 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.81 84.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 64.0 t0 -61.83 -39.84 93.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.664 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.5 t -75.33 -46.38 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.873 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.86 -53.12 50.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.312 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -56.99 -32.78 66.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.696 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.99 91.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.66 -42.34 91.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 1.0 110.933 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.93 -39.51 94.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.733 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.66 -33.78 76.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.247 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 81' ' ' LYS . 88.9 tttt -67.29 -76.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.808 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' LYS . 62.9 mttm 43.92 -169.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.719 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.937 -1.03 . . . . 1.0 110.484 -179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 170.78 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 1.0 109.981 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -66.91 -25.61 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.596 179.548 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.5 -47.46 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.503 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.435 ' OG1' ' OE2' ' A' ' 75' ' ' GLU . 13.3 m -60.36 -41.11 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.7 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.87 -41.77 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.923 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -61.2 -46.12 91.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -59.51 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.639 -0.424 . . . . 1.0 111.178 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.43 -44.96 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.048 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 p -65.75 -39.33 90.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.61 -45.76 90.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.27 0.557 . . . . 1.0 110.61 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -71.77 -42.94 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.618 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.52 -57.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.917 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 16.7 ptmt -52.98 -38.88 62.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.179 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 95.0 mt-10 -70.68 -33.24 70.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -36.73 76.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.544 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -92.49 -10.6 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.921 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -173.8 -161.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.366 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 10.0 mp -85.98 -22.76 27.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.48 34.37 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.63 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 1.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 23.1 p-10 -93.27 6.35 48.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.76 134.74 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.191 0.52 . . . . 1.0 110.064 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.11 127.88 65.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.047 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -117.29 136.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.643 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -140.64 158.3 44.18 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 -26.35 58.17 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -85.76 -12.86 49.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 p -77.81 139.1 39.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 97.7 mt-10 -89.55 166.19 13.81 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.149 0.499 . . . . 1.0 110.707 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -72.73 -40.58 65.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.114 0.483 . . . . 1.0 110.754 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -64.42 -44.74 90.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.967 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.451 ' HG2' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -59.21 -21.51 59.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.506 -179.271 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.95 -7.89 59.62 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.371 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 6.38 56.97 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.42 108.17 0.24 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.883 0.373 . . . . 1.0 110.489 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -94.98 -176.39 3.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.459 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -64.99 -38.81 92.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.571 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.54 -21.5 57.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.564 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -83.71 -50.2 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.883 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.3 m -45.93 -42.65 13.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.587 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.65 -37.28 79.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.227 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.57 -37.69 82.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.589 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -62.78 -48.28 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.775 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.69 -44.83 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.8 ttp -60.61 -44.98 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.408 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -66.03 -47.42 74.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.231 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.664 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.93 -37.32 79.16 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.54 -0.464 . . . . 1.0 110.716 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.58 -37.17 63.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.804 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -67.14 -50.83 59.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -87.97 -2.95 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.491 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.44 53.0 30.33 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.073 -0.811 . . . . 1.0 111.073 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.0 pt -120.13 -168.15 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 120.973 0.416 . . . . 1.0 110.667 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 7.8 p30 -156.4 108.87 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.404 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -133.07 139.66 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.627 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 58.4 t0 -74.08 147.57 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 56.7 mp0 -66.19 -32.69 74.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.653 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 22.1 m-20 -63.94 -40.1 95.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.1 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 62' ' ' GLN . 68.6 mttm -67.35 -41.45 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 17.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.01 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.494 ' H ' ' C ' ' A' ' 60' ' ' LYS . 69.5 mm-40 -70.66 -39.7 73.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.872 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -63.63 -2.78 1.83 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.572 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.8 mm -79.87 127.03 39.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 1.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.493 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 1.4 m -134.32 -18.77 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.27 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.53 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 33.6 p -137.54 168.87 18.8 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.637 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.5 mm -60.8 -44.87 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.504 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -54.83 -45.4 74.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.354 -0.538 . . . . 1.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' A' ' 66' ' ' THR . 83.4 mt-30 -58.36 -43.61 88.44 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.116 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.04 97.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.52 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.44 81.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.84 -48.45 81.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.085 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.68 -45.47 98.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -60.93 -51.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.361 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' OE2' ' OG1' ' A' ' 5' ' ' THR . 65.6 mm-40 -48.39 -37.14 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 1.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.74 97.22 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -41.36 96.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 1.0 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.3 mm? -61.68 -40.44 95.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.352 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.29 -34.66 78.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.578 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -63.16 -28.95 70.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.653 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -60.04 -42.4 94.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.371 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.024 -0.988 . . . . 1.0 110.37 179.822 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.422 ' N36' ' C31' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -77.73 144.3 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.146 0.498 . . . . 1.0 109.925 179.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -18.11 0.29 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.083 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' LYS . 85.4 mt-10 -73.59 -49.05 28.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.69 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.9 m -60.99 -42.36 98.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.611 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.49 -41.58 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.256 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -43.07 95.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.723 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -62.26 -48.44 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.103 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.46 -46.75 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.258 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 m -59.09 -40.94 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.595 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -61.56 -43.78 98.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.633 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.1 -42.7 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.035 0.445 . . . . 1.0 110.613 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.11 -50.22 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.745 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -64.87 -37.28 87.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.772 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 18' ' ' ALA . 64.1 mm-40 -70.26 -36.17 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.937 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.1 mmmt -72.03 -35.12 69.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.397 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -93.02 -6.1 49.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.054 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.23 -169.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.457 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.81 -19.62 30.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.532 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.06 -13.62 56.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 1.0 110.737 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -48.75 70.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 1.0 110.708 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 52.3 t0 -106.95 10.83 30.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.622 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -124.8 133.39 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.0 t -121.5 131.02 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.949 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -116.66 133.53 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.111 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -130.68 166.16 21.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.434 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -25.65 63.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.538 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 33.0 t0 -88.35 -8.23 55.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.773 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -76.89 134.66 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.544 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -93.43 141.66 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.019 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.11 -40.93 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.531 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.9 m -60.47 -41.65 94.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.843 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.12 -39.77 83.35 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.708 0.29 . . . . 1.0 110.54 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.57 -16.52 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.365 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.25 3.83 47.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 109.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 1.0 110.381 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -88.97 -175.31 4.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.548 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.91 -49.27 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.539 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.85 -42.14 95.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.679 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -63.3 -44.32 95.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.498 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.0 m -46.09 -39.72 9.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.865 0.364 . . . . 1.0 110.634 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.43 -43.79 94.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.303 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.31 -37.98 85.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.57 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.11 -48.92 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.66 -42.77 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.432 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -56.78 -47.54 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.873 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.614 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.1 m-80 -65.01 -43.19 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.649 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.05 -43.84 94.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 1.0 110.627 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.09 -37.45 77.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.98 -38.48 61.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.985 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' OE1' ' CD2' ' A' ' 52' ' ' PHE . 14.4 tm-20 -67.16 -44.92 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.005 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.429 ' CD2' ' OE1' ' A' ' 51' ' ' GLU . 94.9 m-85 -94.72 -4.24 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.586 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.67 51.17 58.4 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.031 -0.827 . . . . 1.0 111.031 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.454 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 35.6 pt -126.87 -167.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 1.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -146.98 118.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.144 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.91 128.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.411 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -83.16 152.27 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -63.31 -27.88 69.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.365 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.16 -39.53 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' CD ' ' N ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -77.95 -14.09 59.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.3 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.605 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -68.5 -52.14 35.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.979 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 64' ' ' ILE . 37.1 p-10 -63.91 -28.69 70.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.736 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.407 HG21 HD12 ' A' ' 64' ' ' ILE . 50.3 mm -58.8 124.5 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.403 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -134.09 -18.27 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.41 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 p -135.01 167.59 20.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mm -60.92 -43.76 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.02 -44.98 79.25 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.421 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -58.03 -41.07 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.007 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.1 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.65 -37.1 81.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.686 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.73 -44.4 96.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.0 t -69.9 -43.4 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.389 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.38 -60.42 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.164 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.69 -30.73 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.878 0.37 . . . . 1.0 110.669 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.99 -40.78 95.4 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.63 -41.57 98.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.696 0.284 . . . . 1.0 110.63 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.2 mm? -60.97 -41.93 97.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.426 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -68.68 -36.32 78.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.635 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.17 -44.61 97.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.673 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -88.72 176.1 7.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.412 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.807 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.405 ' N36' ' C31' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 170.47 12.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.295 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -27.9 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.523 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.31 -48.15 74.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.1 m -63.1 -44.09 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.652 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -56.55 -36.46 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.121 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.43 -42.69 98.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -62.23 -53.91 48.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.988 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.33 -47.28 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.691 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.7 p -61.53 -38.66 88.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.675 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.56 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.499 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.75 -42.32 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.139 0.495 . . . . 1.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.8 t -60.72 -53.86 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.845 -0.616 . . . . 1.0 112.011 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -63.95 -32.71 74.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.794 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.8 mt-10 -67.64 -36.69 81.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.596 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.646 ' HZ3' ' ND2' ' A' ' 47' ' ' ASN . 17.2 mmmt -74.84 -32.62 61.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 1.0 111.217 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -95.6 -3.5 46.25 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.068 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.27 -172.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.74 -24.19 53.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 4.06 88.69 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.064 -0.814 . . . . 1.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.7 -62.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 1.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -86.05 13.99 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.672 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -119.41 132.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.993 0.425 . . . . 1.0 110.528 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.48 127.61 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 1.0 110.381 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.28 137.0 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.832 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.432 ' OG1' ' OG ' ' A' ' 29' ' ' SER . 1.1 p -141.47 159.49 42.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.785 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -30.01 63.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.298 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -80.67 -8.59 59.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.432 ' OG ' ' OG1' ' A' ' 26' ' ' THR . 8.8 m -71.7 132.34 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.605 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -93.76 147.79 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.458 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.625 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -61.27 -41.65 97.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.68 -39.06 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.98 -10.22 37.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.516 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.3 5.78 55.75 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 109.14 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 1.0 110.607 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -89.4 -175.11 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.361 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.01 -47.21 86.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.475 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.11 -42.55 89.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.495 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.51 -45.72 89.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -46.62 -38.08 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.352 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.15 -43.0 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.515 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.94 -36.78 85.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.022 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.404 HG21 HD11 ' A' ' 44' ' ' ILE . 42.8 mm -61.21 -51.98 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.231 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.89 -35.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.046 0.451 . . . . 1.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 tpp -61.82 -46.36 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.627 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.646 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 3.2 m-80 -67.03 -43.14 83.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.84 -42.76 97.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.482 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -61.06 -38.46 86.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.416 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.08 -36.73 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.057 0.456 . . . . 1.0 111.188 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.16 -49.05 75.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.982 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -94.4 -6.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.38 39.48 97.82 Favored Glycine 0 C--N 1.33 0.242 0 N-CA-C 111.331 -0.708 . . . . 1.0 111.331 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 pt -108.17 -168.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.872 0.368 . . . . 1.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -149.02 125.75 11.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.26 133.18 52.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.7 t0 -77.18 152.83 34.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.435 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.4 tm-20 -65.76 -35.88 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.481 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.22 -40.2 96.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.611 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.6 mttp -67.58 -35.52 79.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.05 0.452 . . . . 1.0 111.045 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.84 8.53 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.918 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.433 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 91.7 mm-40 -71.91 -39.92 69.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -72.04 -0.37 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.535 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.436 HD13 HG22 ' A' ' 64' ' ' ILE . 47.3 mm -88.67 125.12 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 5.7 t -132.88 -22.95 2.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.429 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.459 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 73.6 p -131.05 169.14 16.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.49 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.71 -44.56 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -54.2 -46.8 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.442 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 65' ' ' SER . 83.7 mt-30 -57.01 -44.71 83.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.131 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.51 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.181 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.19 -35.13 73.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.696 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.37 -39.25 89.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.402 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 82.6 t -76.07 -45.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.152 0.501 . . . . 1.0 111.199 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.6 -54.11 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.786 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.9 pp20? -49.43 -36.17 21.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.615 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.55 -42.86 99.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.092 -0.803 . . . . 1.0 111.092 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.97 -39.65 93.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 1.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp -60.78 -40.06 91.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.551 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -56.49 -32.73 65.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.664 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -64.88 -32.35 74.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.062 0.458 . . . . 1.0 110.909 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 81' ' ' LYS . 68.5 mmtt -44.06 -45.39 8.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.714 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.121 -0.943 . . . . 1.0 110.623 -179.843 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.451 ' O27' ' C34' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' NZ ' ' OG1' ' A' ' 5' ' ' THR . 0.1 OUTLIER -132.8 161.63 33.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.173 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -27.72 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.434 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -67.48 -51.73 47.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.57 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.528 ' OG1' ' NZ ' ' A' ' 2' ' ' LYS . 80.0 m -61.83 -36.37 80.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.783 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.459 ' CG1' HE21 ' A' ' 68' ' ' GLN . 94.0 mt -60.68 -41.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.303 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -41.95 99.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -61.72 -49.95 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.166 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.52 -45.92 91.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -50.04 75.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.872 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 40.8 t0 -48.86 -47.02 43.16 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.482 0.488 . . . . 1.0 110.896 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.89 -42.25 85.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.956 0.408 . . . . 1.0 110.706 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.87 -49.97 81.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.4 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -68.51 -31.69 71.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.914 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' ALA . 67.5 mt-10 -67.7 -39.96 84.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 1.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -33.0 60.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.001 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.99 -0.93 57.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.819 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.58 -172.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.51 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.93 -25.33 62.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.44 -23.43 25.0 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.05 -32.15 16.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.841 0.353 . . . . 1.0 110.756 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.77 2.76 56.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.723 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.73 150.47 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.8 p -134.4 120.7 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.397 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.31 150.97 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.137 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.499 ' C ' ' H ' ' A' ' 28' ' ' ASP . 2.0 p -136.04 166.08 24.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.02 -12.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.366 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 26' ' ' THR . 43.5 t0 -100.6 -9.64 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.686 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' THR . 58.4 m -73.76 127.71 33.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.579 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -89.34 141.8 28.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -56.61 -41.27 76.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -59.0 -41.46 87.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.0 -17.32 64.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.504 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.65 8.28 43.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.061 -0.815 . . . . 1.0 111.061 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 108.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 1.0 110.545 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 85.0 m-20 -93.72 -176.59 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.541 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.07 -47.5 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.509 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.9 mt -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 99.2 m-20 -76.0 -46.88 27.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -44.88 -45.34 10.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.84 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.46 -32.73 51.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.391 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 21.3 tp10 -67.95 -35.14 77.89 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.96 -46.96 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.78 -42.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 tpp -56.57 -47.74 78.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.76 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -63.87 -43.18 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.73 -43.2 89.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.927 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' GLY . 91.1 mt-10 -58.93 -41.74 88.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -73.54 -35.33 65.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.842 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.8 -46.17 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.834 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -98.93 -4.68 32.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 1.0 110.651 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 61.38 48.62 84.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.096 -0.802 . . . . 1.0 111.096 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 pt -123.27 162.29 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.297 -0.26 . . . . 1.0 110.297 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -119.86 114.99 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.42 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.91 131.32 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.4 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.86 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.384 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.88 -27.94 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.72 -39.43 94.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.74 -13.41 54.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.41 7.2 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.651 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.613 HE22 ' C39' ' A' ' 101' ' ' PNS . 99.5 mm-40 -70.09 -41.9 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.853 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.46 1.36 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.52 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.4 mm -84.95 130.31 36.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.632 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -129.85 -37.66 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 p -130.04 177.28 7.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.879 0.371 . . . . 1.0 110.4 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.1 mm -59.53 -44.72 93.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.602 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.459 HE21 ' CG1' ' A' ' 6' ' ' ILE . 3.7 mm-40 -56.1 -44.0 78.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.516 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -56.15 -45.05 79.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.268 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.06 90.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.36 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.77 -39.88 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.6 t -76.34 -45.89 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.07 -52.6 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -56.27 -34.6 66.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.08 99.31 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.7 -40.17 92.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.329 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.22 -39.08 88.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.34 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.96 -38.72 79.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.98 -39.14 93.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.742 0.306 . . . . 1.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -52.28 171.79 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.393 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.046 -0.978 . . . . 1.0 110.645 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.613 ' C39' HE22 ' A' ' 62' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 175.52 10.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.205 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -69.07 -26.43 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.821 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.82 -48.32 59.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.834 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 m -61.11 -44.54 97.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.446 ' CG1' HE21 ' A' ' 68' ' ' GLN . 97.2 mt -56.41 -38.99 58.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.383 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.537 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -61.83 -50.23 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.932 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.1 t -67.49 -46.29 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.554 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.47 -44.4 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.18 -42.82 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.952 0.406 . . . . 1.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.89 -51.04 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.248 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.01 -31.71 72.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.584 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 18' ' ' ALA . 12.0 tm-20 -69.87 -40.84 75.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.66 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -35.24 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.426 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -86.37 -7.73 58.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.053 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 175.42 -177.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.485 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.37 -24.36 62.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.659 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.63 -13.65 63.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -50.16 44.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 1.0 110.7 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.5 3.38 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.635 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.6 t -118.57 132.01 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.324 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.97 129.94 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.429 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -116.6 136.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.193 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.74 167.07 17.0 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.693 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.2 -22.14 66.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.594 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 52.6 t0 -92.19 -7.55 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.685 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 m -77.75 135.23 37.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.603 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -89.55 142.14 27.94 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -53.77 -40.7 66.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.686 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -62.36 -38.62 90.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -38.19 88.28 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.56 -20.58 66.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 1.0 109.594 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.65 6.82 32.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.31 109.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 1.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -88.0 -176.3 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.94 -49.48 77.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.546 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -65.14 -44.71 87.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.394 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.3 m -46.17 -39.43 9.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.803 0.335 . . . . 1.0 110.537 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.54 -42.47 93.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 81.0 mm-40 -61.5 -39.55 91.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.448 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.58 -47.75 91.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.595 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.9 -43.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.971 0.415 . . . . 1.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 tpp -60.36 -45.6 92.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.891 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.6 m-80 -64.79 -47.37 78.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.799 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.47 -44.18 95.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.85 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.42 -36.94 85.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.907 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -76.21 -37.28 57.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.67 -43.42 69.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.721 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -94.18 -5.9 46.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.9 49.59 65.79 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 pt -121.99 161.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 1.0 110.489 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.48 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -124.59 122.74 38.41 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.429 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.43 141.32 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.42 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.96 147.26 41.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.788 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.3 -34.69 78.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -62.03 -39.93 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.0 mtpm? -66.74 -41.84 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.75 23.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.874 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 60' ' ' LYS . 80.2 mm-40 -79.28 -35.3 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.614 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.61 -0.98 4.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.37 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.439 HD12 HG21 ' A' ' 64' ' ' ILE . 48.0 mm -77.15 125.69 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 m -124.52 -36.93 2.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 p -128.74 174.93 9.01 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.92 0.39 . . . . 1.0 110.476 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.92 -43.65 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.752 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.446 HE21 ' CG1' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -57.53 -40.63 79.24 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.63 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -57.82 -44.17 86.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.063 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.34 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.488 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.2 89.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.01 -41.17 99.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.533 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.54 -43.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.747 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.91 -59.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.212 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -48.21 -32.34 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.502 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.62 90.42 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.72 -39.11 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.854 0.359 . . . . 1.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.2 mm? -60.5 -45.58 93.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.043 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 81' ' ' LYS . 10.0 pt-20 -69.81 -42.3 73.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.008 0.432 . . . . 1.0 110.803 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -49.05 -11.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.635 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 79' ' ' GLU . 99.5 mttt -73.93 142.24 45.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.6 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.056 -0.973 . . . . 1.0 110.53 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.446 ' O27' ' C34' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.592 ' HZ3' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -69.63 161.72 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.158 0.504 . . . . 1.0 110.035 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -15.11 57.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.637 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -76.75 -46.71 24.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.553 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -60.85 -42.16 97.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.704 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.94 -38.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.501 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -63.51 -38.03 89.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.479 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -64.76 -50.04 68.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.235 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.84 -45.04 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.482 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -61.1 -38.83 87.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.699 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.644 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.1 mt -71.72 -42.39 70.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.701 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.77 -51.92 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.198 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.03 -33.44 75.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 1.0 110.682 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 79.3 tt0 -70.56 -39.34 74.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.776 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.61 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.9 mmmt -71.02 -35.68 72.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.49 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.95 -8.73 53.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.97 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.61 -171.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.488 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 10.4 mp -79.21 -22.85 44.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.403 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.14 -0.86 82.17 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.68 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.717 0.294 . . . . 1.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -97.22 9.69 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.8 t -119.87 133.8 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.135 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -112.05 126.83 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.205 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.7 140.0 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -140.8 161.27 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.672 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -23.69 64.01 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.391 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.8 -16.59 31.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.713 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 m -71.76 137.01 47.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.493 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.07 151.62 21.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -58.8 -41.44 86.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.552 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -62.04 -40.5 95.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -58.88 -39.81 82.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.796 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.91 -21.56 65.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.634 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.01 -9.96 22.94 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 109.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 1.0 110.433 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.07 -175.09 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.408 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.93 -41.86 92.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.9 mt -65.22 -38.87 91.75 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.527 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.92 -37.45 29.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.539 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.5 m -45.73 -43.6 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.723 0.296 . . . . 1.0 111.007 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.06 -35.29 74.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.53 -39.17 81.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.773 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -59.84 -51.08 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.945 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.23 -36.71 77.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.614 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.4 tpp -60.85 -48.04 83.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.708 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.61 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.7 m-80 -65.16 -42.54 93.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.672 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.98 -44.69 91.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 1.0 110.931 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.68 -37.07 82.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.648 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.4 -37.14 60.67 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.935 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -66.77 -45.15 79.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.999 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -96.36 -3.54 43.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.42 50.0 61.98 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 pt -121.37 178.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 120.881 0.372 . . . . 1.0 110.486 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -142.65 125.59 16.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.479 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.17 139.03 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.426 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -77.13 145.76 37.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.454 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -66.14 -35.13 79.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.438 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -62.9 -34.95 78.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -81.52 -15.08 56.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.573 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.29 15.12 20.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.731 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.17 -38.4 78.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.797 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 35.4 p-10 -63.54 -7.79 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.697 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.416 HG22 HD12 ' A' ' 64' ' ' ILE . 46.2 mm -75.55 127.22 36.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.456 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 17.1 m -138.76 -19.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 p -137.73 172.63 12.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.931 0.396 . . . . 1.0 110.472 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.4 mm -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.484 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.24 -46.51 76.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.466 -0.493 . . . . 1.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -59.69 -42.92 94.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.06 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.64 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.499 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.74 73.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.897 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.532 0.52 . . . . 1.0 111.022 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -69.07 -42.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.623 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.09 -55.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.141 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.61 -29.4 17.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 1.0 110.836 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.03 95.04 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.23 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.628 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 4.1 mm? -61.22 -40.12 92.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.32 -32.73 72.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.459 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -138.39 65.66 1.46 Allowed 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.106 0.479 . . . . 1.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -58.33 141.36 51.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.523 -179.754 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.237 -0.653 . . . . 1.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.34 156.93 23.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.743 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -21.58 59.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.493 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.86 -44.72 65.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.473 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.9 m -63.31 -44.42 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.75 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.487 ' CD1' ' NE2' ' A' ' 68' ' ' GLN . 59.0 mt -56.59 -38.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.443 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.37 -40.57 96.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -61.6 -50.26 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.02 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 t -65.5 -46.19 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.445 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.594 ' HG ' ' N ' ' A' ' 11' ' ' ASP . 96.6 p -59.21 -40.95 87.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.63 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.594 ' N ' ' HG ' ' A' ' 10' ' ' SER . 28.2 t70 -61.37 -46.39 90.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.484 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.11 -43.05 85.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.414 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.92 -51.68 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.767 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -62.54 -36.78 83.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.943 0.402 . . . . 1.0 110.33 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.8 mt-10 -70.26 -38.94 75.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.5 mmmt -69.24 -36.44 77.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.486 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -88.44 -9.79 51.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.173 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 180.0 -170.65 0.15 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.92 -0.312 . . . . 1.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.8 mt -74.4 -23.79 59.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.03 53.09 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.13 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 1.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -97.05 4.34 51.44 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.566 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.61 133.74 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.317 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.9 t -117.86 131.02 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.959 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.46 133.9 61.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.892 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 162.99 26.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.235 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.34 66.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.467 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -88.14 -19.91 26.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.709 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.2 t -70.79 136.67 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 1.0 110.623 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -94.72 143.41 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.206 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -50.73 -33.68 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.701 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.28 -45.48 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.896 -0.322 . . . . 1.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.25 -35.28 79.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.62 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.48 -20.03 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.428 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.65 0.41 52.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.59 108.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.402 . . . . 1.0 110.449 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.424 ' O ' ' OG1' ' A' ' 41' ' ' THR . 97.1 m-20 -92.74 -166.07 1.46 Allowed 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.287 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -69.0 -40.24 78.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.174 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.1 mm? -66.09 -38.8 89.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.45 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.7 m-20 -77.68 -44.86 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.772 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 37' ' ' ASP . 53.8 m -46.0 -41.57 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.026 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -70.34 -32.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.32 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' ASP . 96.0 mt-10 -70.48 -37.18 74.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.771 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.33 -51.03 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.962 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.98 -40.71 88.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.507 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.0 ttm -55.97 -48.51 75.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.408 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.6 m-80 -65.08 -42.69 93.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.696 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.69 -41.94 95.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 1.0 110.581 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLY . 93.3 mt-10 -60.12 -42.25 94.36 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -74.26 -39.28 63.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.992 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.8 tm-20 -67.86 -42.32 81.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.94 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 73.6 m-85 -95.84 -7.24 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.522 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 60.27 47.31 91.73 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.43 163.42 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.649 0.262 . . . . 1.0 110.423 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.614 ' ND2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -120.39 112.61 19.21 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.401 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.84 132.89 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.867 0.365 . . . . 1.0 110.023 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -82.27 150.68 27.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.283 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.35 -33.6 76.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 48.4 p-10 -62.9 -35.51 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.97 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.6 mptt -81.79 -14.36 56.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.861 0.362 . . . . 1.0 110.11 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.93 7.88 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -68.41 -38.15 81.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.902 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 27.3 p-10 -65.08 -6.76 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.38 125.29 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.449 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.3 p -120.44 -44.29 2.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.397 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.6 p -127.53 176.81 7.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.799 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.6 mm -58.97 -45.47 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.131 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.487 ' NE2' ' CD1' ' A' ' 6' ' ' ILE . 5.8 mm-40 -53.68 -41.68 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.571 -0.451 . . . . 1.0 110.108 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -59.27 -45.08 92.2 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.229 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.21 -41.72 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.489 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.72 -36.28 82.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.749 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.29 -39.44 92.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.37 -45.29 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.81 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.52 -56.8 14.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.184 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.457 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.22 -33.23 8.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.18 97.59 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.2 mt -64.13 -42.53 96.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 1.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? -62.53 -42.43 99.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.538 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -66.28 -38.87 88.81 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 81' ' ' LYS . 88.0 tttt -64.89 -72.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.661 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 80' ' ' LYS . 21.9 mmtp 42.22 -168.19 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.81 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.06 -0.971 . . . . 1.0 110.582 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PNS . . . . . 0.419 ' O27' ' C34' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.487 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -79.73 171.16 15.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.243 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.443 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -66.19 -29.64 69.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.73 -51.04 64.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.807 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -59.18 -41.04 87.51 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.878 0.37 . . . . 1.0 110.582 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.14 -41.69 90.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.223 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.46 -41.15 93.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.599 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -63.08 -47.79 81.38 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.981 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.7 t -65.45 -45.99 91.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.793 0.33 . . . . 1.0 110.201 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.5 p -61.85 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 1.0 110.525 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.13 -44.53 96.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.786 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.04 -44.01 81.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.161 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 9' ' ' VAL . 93.9 t -63.64 -55.63 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -53.71 -35.39 61.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.7 mm-40 -72.97 -39.25 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.903 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -67.41 -37.75 83.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.732 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.99 -12.36 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.479 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.47 -161.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 1.0 110.32 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.3 mp -80.93 -22.94 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.824 0.345 . . . . 1.0 110.276 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.97 -6.88 79.89 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.65 -42.43 14.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 1.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -101.65 11.91 38.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.3 t -123.47 133.29 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 1.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.26 126.19 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.055 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.89 137.96 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -138.23 163.17 32.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.482 ' HB1' ' HG2' ' A' ' 68' ' ' GLN . . . -64.75 -15.63 61.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.814 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -100.32 -7.95 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -76.56 129.17 36.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 110.828 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.21 147.3 29.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.617 . . . . 1.0 110.396 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 67' ' ' ILE . 57.1 m-85 -60.61 -42.44 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.735 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.7 m -59.79 -40.9 89.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.753 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.14 -37.47 85.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.964 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.02 -21.29 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.396 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.56 -2.21 34.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.308 -0.717 . . . . 1.0 111.308 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.86 108.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.054 0.454 . . . . 1.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 98.7 m-20 -92.05 -176.03 4.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.195 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.66 -45.28 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.651 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -66.44 -35.45 80.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 1.0 110.322 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 98.6 m-20 -80.06 -51.6 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -48.17 -43.84 31.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.829 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.86 -32.68 59.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 1.0 109.839 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.63 -33.74 71.33 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.317 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.8 -50.91 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.179 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.93 -34.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.32 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 tpp -60.0 -48.49 81.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.238 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -65.79 -42.35 90.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.021 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.11 -42.18 96.98 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.89 -39.61 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.016 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.56 -40.98 63.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.22 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -71.05 -41.77 70.32 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 1.0 110.915 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -90.39 -6.95 54.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.18 48.11 87.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.516 -0.634 . . . . 1.0 111.516 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.87 -174.22 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.905 0.383 . . . . 1.0 110.756 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -148.11 124.04 10.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.304 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.02 137.73 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.985 0.421 . . . . 1.0 110.531 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' H ' ' HE2' ' A' ' 60' ' ' LYS . 44.0 t0 -79.3 153.19 30.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.531 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.0 -34.59 78.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.581 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -60.29 -44.46 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.489 ' C ' ' H ' ' A' ' 62' ' ' GLN . 28.7 mtmm -66.12 -40.81 90.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.555 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.48 24.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.93 -32.84 40.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.718 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.38 -8.52 40.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.642 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 73' ' ' VAL . 32.3 mm -71.74 130.09 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.649 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -130.2 -30.64 1.94 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.489 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.443 ' HG1' ' HG3' ' A' ' 68' ' ' GLN . 5.9 p -128.68 174.87 9.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.003 0.43 . . . . 1.0 110.362 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 31' ' ' PHE . 6.8 mm -61.51 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.915 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.482 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -64.55 -33.09 75.11 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.126 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.438 ' N ' ' OE1' ' A' ' 68' ' ' GLN . 44.6 mm-40 -53.23 -45.91 68.92 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 119.844 -0.743 . . . . 1.0 109.128 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.7 81.76 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.946 -0.761 . . . . 1.0 108.946 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.93 82.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.287 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.9 -42.68 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.781 0.324 . . . . 1.0 111.162 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 64' ' ' ILE . 80.3 t -63.55 -43.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.596 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.0 -46.7 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.613 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.89 -36.52 65.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.975 0.417 . . . . 1.0 110.469 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.45 98.88 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.054 -0.818 . . . . 1.0 111.054 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -40.9 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.673 0.273 . . . . 1.0 110.645 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.076 -179.635 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.426 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.48 166.89 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.171 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.501 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.578 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.13 -43.3 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.585 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.9 m -61.25 -44.69 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.427 HD11 ' OE1' ' A' ' 68' ' ' GLN . 56.0 mt -61.94 -43.62 97.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.239 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -63.45 -51.6 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.184 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 87.4 t -64.6 -46.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.608 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -59.37 -42.83 92.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.85 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.95 -46.21 90.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.08 0.467 . . . . 1.0 110.953 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -43.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 9' ' ' VAL . 50.7 t -58.56 -55.07 25.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.376 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ALA . 2.2 pttm -64.15 -29.62 70.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 123.547 0.53 . . . . 1.0 110.487 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.1 tt0 -62.32 -39.7 93.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.244 0.545 . . . . 1.0 110.384 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 10.1 mtpp -75.29 -32.7 61.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.112 0.482 . . . . 1.0 110.61 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 mt -95.46 -6.73 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.79 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -174.25 -167.68 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.563 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.5 mm? -86.0 -23.5 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.8 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.86 7.64 86.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.11 -62.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 1.0 110.575 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -91.7 14.07 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.541 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -113.25 133.3 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 1.0 110.272 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.9 133.73 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.09 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.6 t -116.43 141.08 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.756 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -135.1 155.56 50.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.435 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -26.48 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.89 -7.05 57.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 p -72.71 134.95 45.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.939 0.4 . . . . 1.0 110.577 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -93.97 143.41 26.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.327 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 64.7 m-85 -55.06 -31.16 60.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.726 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -59.03 -46.06 89.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.763 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 10.8 mptt -63.36 -37.1 85.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.689 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.1 -18.36 65.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.406 0.441 . . . . 1.0 110.32 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.29 44.27 5.05 Favored Glycine 0 N--CA 1.461 0.33 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.62 107.2 19.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 1.0 110.291 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.464 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 97.6 m-20 -90.32 -179.02 5.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.46 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.29 -44.84 92.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.13 -39.61 82.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.605 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.464 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 14.7 m-20 -74.29 -49.43 23.11 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 37' ' ' ASP . 8.0 p -48.54 -39.33 23.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.434 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.568 ' O ' ' SD ' ' A' ' 46' ' ' MET . 41.5 t -64.14 -47.1 91.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.301 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 93.6 mt-10 -55.87 -30.94 62.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 1.0 110.51 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.36 -42.62 87.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.81 -55.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.298 -178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.568 ' SD ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -61.68 -38.85 89.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.1 m-80 -62.95 -50.08 72.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.8 -43.72 71.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.753 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.22 -37.57 77.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -74.51 -35.82 63.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -66.27 -44.1 84.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.75 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -98.31 -0.45 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.57 53.7 27.73 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.3 pt -123.02 162.56 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 1.0 110.497 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -123.47 122.0 37.13 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.94 141.53 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.67 143.27 40.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.608 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -66.86 -32.18 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.58 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.49 -29.29 69.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.526 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -82.0 -14.38 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.644 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.25 16.17 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.55 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -71.53 -37.6 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.799 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.61 -2.73 5.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.407 HD11 HG21 ' A' ' 73' ' ' VAL . 51.4 mm -75.64 128.12 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.703 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -129.5 -40.99 1.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -123.72 176.78 6.05 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.919 0.39 . . . . 1.0 110.441 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.413 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 43.9 mm -60.39 -46.65 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.427 ' OE1' HD11 ' A' ' 6' ' ' ILE . 1.6 mm100 -54.79 -40.59 69.62 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.577 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -58.64 -46.27 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.166 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.88 90.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.521 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.97 85.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.45 -40.33 94.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.008 0.432 . . . . 1.0 110.525 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.407 HG21 HD11 ' A' ' 64' ' ' ILE . 82.0 t -74.36 -44.68 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.649 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.89 -53.91 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.228 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.09 -36.89 66.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.493 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.07 98.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.14 -39.38 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.94 0.4 . . . . 1.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.613 -179.378 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.572 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -73.74 164.53 26.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 1.0 109.922 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -65.53 -14.26 60.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.52 -0.764 . . . . 1.0 110.686 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 81.5 tt0 -77.88 -46.66 20.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.616 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m -60.95 -40.85 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.63 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.75 -42.01 87.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.251 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.23 -41.44 96.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -62.33 -48.63 78.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.37 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.2 t -65.26 -46.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -62.93 -36.16 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 1.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.22 -43.5 97.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.647 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.47 -42.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 1.0 110.848 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' VAL . 75.7 t -63.82 -49.94 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.438 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -63.8 -31.92 73.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 1.0 110.662 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.9 tp10 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.847 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -34.74 69.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.505 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD21 ' OD2' ' A' ' 40' ' ' ASP . 83.8 mt -88.13 -7.38 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.026 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 23' ' ' VAL . . . 176.59 -176.02 0.13 Allowed 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 120.918 0.39 . . . . 1.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.4 mm? -76.35 -22.92 54.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.587 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 -14.57 62.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.09 -49.76 54.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 1.0 110.704 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -100.64 6.67 44.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 18' ' ' ALA . 76.0 t -122.78 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.195 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' VAL . 10.7 p -122.15 132.39 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.88 136.15 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.176 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -130.72 162.94 28.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.511 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.5 66.14 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 57.9 t0 -86.28 -16.95 35.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.642 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -71.59 141.64 50.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.636 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -100.11 141.89 32.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.241 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 63.5 m-85 -49.97 -41.39 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.696 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.96 -41.61 96.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.08 -37.8 86.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.804 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.64 -21.65 66.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.589 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.83 6.13 37.9 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 108.57 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' A' ' 38' ' ' SER . 32.2 t70 -91.42 -176.33 4.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.543 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -63.13 -39.64 95.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.634 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 42' ' ' VAL . 55.0 mt -63.58 -40.79 97.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.606 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.449 ' OD2' HD21 ' A' ' 17' ' ' LEU . 9.3 t70 -79.2 -34.53 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.757 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -45.39 -40.51 8.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.8 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 39' ' ' LEU . 3.5 p -66.91 -35.99 76.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 1.0 110.625 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.519 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 96.1 mt-10 -68.25 -37.67 80.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.432 HD11 ' OD2' ' A' ' 40' ' ' ASP . 37.7 mm -62.76 -48.7 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.71 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.85 -44.33 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.636 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.7 ttm -58.16 -45.91 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.774 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 3.1 m-80 -63.52 -44.01 95.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.891 0.377 . . . . 1.0 110.698 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 mt -66.04 -42.02 90.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.037 0.446 . . . . 1.0 110.857 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -57.91 -40.21 79.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.72 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -72.35 -39.23 68.26 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -67.83 -45.78 73.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.886 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -90.87 -5.22 55.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.561 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.97 52.44 46.72 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 pt -126.3 -172.41 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 1.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -151.67 112.13 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.412 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.16 138.78 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.592 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -76.7 146.59 37.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -62.97 -34.64 77.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.439 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 96.3 m-20 -61.68 -40.86 96.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.487 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.4 mtpm? -66.3 -41.4 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.879 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.53 26.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.028 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.91 -28.57 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.716 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -75.67 -2.77 31.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.571 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 73' ' ' VAL . 47.1 mm -77.26 129.07 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 32.2 t -129.77 -27.35 2.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.8 p -133.62 173.76 11.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.529 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.525 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.9 mm -61.88 -44.0 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.368 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -55.65 -47.0 77.4 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.745 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.534 ' OE1' ' N ' ' A' ' 65' ' ' SER . 80.7 mt-30 -55.78 -41.81 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.093 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.74 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.71 86.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.771 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.53 -42.91 99.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 64' ' ' ILE . 81.1 t -69.63 -44.5 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.583 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.27 -60.7 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.264 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.79 -31.07 25.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.662 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.66 -32.35 83.17 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.75 -0.94 . . . . 1.0 110.75 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.81 -39.06 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 1.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.922 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 168.67 19.21 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.318 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -61.93 -29.84 70.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -67.49 -49.89 61.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.532 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 m -60.34 -42.77 96.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.771 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.89 -39.69 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.102 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -60.74 -43.4 97.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.479 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -60.78 -52.4 65.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 t -65.75 -45.29 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.396 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 t -61.66 -41.14 97.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -60.27 -43.85 95.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.579 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -42.83 78.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 1.0 110.595 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 9' ' ' VAL . 69.0 t -64.98 -50.68 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.21 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.0 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.617 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.4 mt-10 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.667 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.0 mmmt -71.35 -36.08 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.125 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.76 -14.26 42.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.854 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.7 -157.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 1.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -84.78 -17.93 36.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.47 -22.77 33.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.6 -39.22 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 1.0 110.607 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 48.1 t0 -84.83 -3.57 58.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.496 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.1 151.19 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.39 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -121.74 127.96 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.097 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.0 t -116.5 134.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.608 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -136.14 163.18 30.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.609 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.32 63.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 51.1 t0 -88.42 -17.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.607 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 p -71.65 143.32 49.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.607 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.99 145.85 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.375 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 70.1 m-85 -53.64 -42.71 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.768 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.4 m -61.61 -41.87 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.39 -38.24 88.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.893 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.96 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.68 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.33 -9.17 30.9 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.99 109.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 1.0 110.533 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.2 t0 -91.84 -171.51 2.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.954 0.406 . . . . 1.0 110.504 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.562 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -62.96 -40.17 96.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.505 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.3 mp -69.11 -40.34 78.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.03 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.46 -42.76 67.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.278 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -45.88 -32.25 2.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.513 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 t -67.16 -43.19 88.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.187 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 14.0 mp0 -68.31 -36.95 80.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -62.99 -52.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.029 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 46' ' ' MET . 12.9 p -67.95 -42.38 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.51 ' N ' HG13 ' A' ' 45' ' ' VAL . 54.6 ttm -59.0 -45.09 91.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.518 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -65.76 -43.27 89.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.1 -43.26 95.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.743 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.07 -37.5 80.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.826 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -74.93 -36.77 62.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.83 -44.33 85.89 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.595 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -97.76 -2.59 40.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.617 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.11 52.8 44.57 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.0 pt -125.45 152.55 32.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.76 0.314 . . . . 1.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -111.23 114.29 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.583 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.58 132.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.567 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -81.29 142.52 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.465 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -60.82 -26.78 67.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.74 -40.26 91.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.363 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.63 -13.0 58.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.42 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.92 7.96 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.627 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -69.51 -39.81 77.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.955 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 53.6 t0 -65.06 -7.91 14.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.467 HD11 HG21 ' A' ' 73' ' ' VAL . 40.0 mm -79.8 130.76 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.72 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.54 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 16.5 m -139.03 -24.2 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.525 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.8 p -132.94 171.48 13.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.516 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 46.4 mm -60.94 -43.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.629 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -56.08 -47.0 78.82 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.765 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.54 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -57.38 -42.09 81.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.071 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.9 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.36 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.62 71.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 1.0 110.704 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.5 -38.32 86.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.536 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.467 HG21 HD11 ' A' ' 64' ' ' ILE . 77.2 t -76.48 -45.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.74 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.76 -55.59 22.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.041 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.8 pp20? -48.68 -36.34 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.565 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.444 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.38 -40.96 98.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.67 -42.58 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.635 0.255 . . . . 1.0 110.722 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 78' ' ' LEU . 9.6 mp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.433 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.057 -0.72 . . . . 1.0 109.057 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -81.84 159.31 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.902 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.53 -16.68 61.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.462 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 9.3 tm-20 -75.16 -44.84 44.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 1.0 110.661 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.547 HD11 ' OE1' ' A' ' 68' ' ' GLN . 57.1 mt -60.38 -42.9 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.159 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.42 -39.99 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.489 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -63.92 -53.02 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 1.0 111.263 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 13' ' ' VAL . 55.0 t -63.52 -44.79 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.242 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.3 p -59.57 -40.51 87.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 1.0 110.576 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.19 -43.18 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.333 0.587 . . . . 1.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.9 mt -68.66 -41.96 82.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.371 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 9' ' ' VAL . 85.3 t -66.04 -54.69 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.088 -0.505 . . . . 1.0 112.044 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -58.64 -37.13 75.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.936 0.398 . . . . 1.0 110.732 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' ALA . 93.7 mt-10 -72.13 -35.69 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -71.83 -35.66 69.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.541 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -89.12 -12.54 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.011 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.52 -162.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 1.0 110.493 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.9 mt -77.51 -23.02 50.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.615 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.85 -23.18 37.12 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.16 -29.18 17.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.753 0.311 . . . . 1.0 110.808 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.17 -1.19 57.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.97 152.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -127.4 126.35 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.052 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 p -119.26 140.9 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.246 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.409 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.4 p -133.63 161.9 33.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.522 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -57.39 -23.55 49.93 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.174 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -94.97 -9.04 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.792 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB3' ' H ' ' A' ' 26' ' ' THR . 39.9 t -74.2 137.7 43.26 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.781 0.324 . . . . 1.0 110.461 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -90.55 147.7 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 62.6 m-85 -59.72 -39.85 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.571 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.56 -37.07 84.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.739 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -63.03 -39.99 96.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.59 -16.2 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.295 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.42 -1.39 37.16 Favored Glycine 0 N--CA 1.464 0.556 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.904 -0.318 . . . . 1.0 110.329 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' A' ' 38' ' ' SER . 42.4 t0 -94.4 -172.84 2.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.079 0.466 . . . . 1.0 110.473 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.558 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.13 -31.72 71.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.9 m-20 -81.75 -47.63 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.996 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 37' ' ' ASP . 3.3 p -45.65 -40.75 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.045 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.83 -33.95 58.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.303 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ASP . 94.4 mt-10 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.675 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.29 -46.43 95.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.573 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.6 -43.57 83.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.17 -47.28 78.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.802 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.07 -42.84 96.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.713 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.1 -42.18 94.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.843 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -58.42 -39.86 80.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.726 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -75.2 -36.11 61.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 14.0 tm-20 -65.97 -44.7 84.19 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.098 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.454 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 96.5 m-85 -98.54 -5.81 31.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.498 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 45.68 95.29 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.255 -0.738 . . . . 1.0 111.255 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.05 -168.13 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.82 0.343 . . . . 1.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.27 124.7 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.2 131.34 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 54.8 t0 -78.68 150.65 32.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 98.4 mt-10 -62.44 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.09 -41.61 99.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.785 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.9 mttp -66.39 -39.27 88.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.745 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.51 23.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 1.0 111.145 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' H ' ' C ' ' A' ' 60' ' ' LYS . 83.9 mm-40 -82.94 -31.07 27.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.14 1.08 29.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.704 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.509 HD11 HG21 ' A' ' 73' ' ' VAL . 48.7 mm -85.95 126.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.04 0.447 . . . . 1.0 110.515 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.525 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 3.1 m -133.2 -17.91 2.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.279 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 23.2 p -137.76 168.75 19.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.926 0.393 . . . . 1.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.473 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 6.0 mm -61.84 -43.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.596 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.547 ' OE1' HD11 ' A' ' 6' ' ' ILE . 1.2 mm100 -56.28 -44.33 79.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 66' ' ' THR . 86.2 mt-30 -58.71 -40.96 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.83 94.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.6 78.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -61.95 -41.33 97.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.509 HG21 HD11 ' A' ' 64' ' ' ILE . 92.7 t -73.13 -44.38 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.613 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.5 -58.71 6.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.44 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.0 -31.53 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.61 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -42.3 99.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.0 -41.39 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 1.0 110.729 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 78' ' ' LEU . 9.7 mp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.441 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.578 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -75.96 166.97 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.059 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.696 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.627 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -60.9 -45.76 93.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 1.0 110.887 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.4 HD11 ' OE1' ' A' ' 68' ' ' GLN . 69.1 mt -56.87 -36.14 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.5 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -64.02 -39.33 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.621 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -65.45 -52.41 53.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.04 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 13' ' ' VAL . 10.8 t -65.71 -46.31 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.7 p -60.99 -38.09 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.677 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -62.88 -43.73 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.469 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.8 -43.53 69.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.858 0.361 . . . . 1.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 9' ' ' VAL . 69.5 t -62.74 -51.4 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.421 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -64.29 -32.68 74.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.935 0.398 . . . . 1.0 110.775 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' A' ' 18' ' ' ALA . 49.4 tp10 -73.74 -39.55 64.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.743 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -32.98 65.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.411 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 84.0 mt -93.78 -0.8 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.001 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 175.62 -172.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.515 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.5 mp -72.43 -24.59 61.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.446 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.14 -22.63 38.61 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.22 15.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.701 0.286 . . . . 1.0 110.769 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -96.1 8.4 43.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.731 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.38 151.02 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.36 121.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.105 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 p -117.66 136.38 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -139.68 159.34 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.07 60.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.291 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 45.9 t0 -89.39 -10.37 46.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.606 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.6 p -76.2 139.89 41.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.568 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' H ' ' HE2' ' A' ' 33' ' ' LYS . 96.8 mt-10 -94.03 148.89 21.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.289 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 82.5 m-85 -58.25 -34.63 70.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -60.72 -44.26 96.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HE2' ' H ' ' A' ' 30' ' ' GLU . 52.9 mtmt -61.85 -36.26 80.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.781 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.67 -14.94 63.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 -1.97 52.09 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.62 108.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.541 ' CG ' ' H ' ' A' ' 38' ' ' SER . 26.0 t70 -91.58 -173.61 3.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.466 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.541 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.68 -46.99 87.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.467 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 53.4 mt -67.04 -42.07 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.73 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 93.6 m-20 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -45.75 -38.38 6.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.705 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.77 -42.75 89.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.466 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -62.53 -37.58 86.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.373 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.02 -48.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.55 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.93 -42.58 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.366 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 tpp -58.24 -47.83 82.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.73 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.5 m-80 -62.93 -43.92 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.537 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.45 -43.28 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 1.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -58.45 -40.43 82.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -75.23 -36.52 61.31 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.793 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -66.55 -45.9 77.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.921 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -97.43 -2.0 43.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.686 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.4 48.27 76.94 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -121.19 -167.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.694 0.283 . . . . 1.0 110.357 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -142.89 115.29 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.25 131.89 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.0 t0 -102.01 152.88 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.283 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 81.4 tt0 -58.2 -37.63 75.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.292 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.551 ' O ' ' OE1' ' A' ' 62' ' ' GLN . 98.0 m-20 -67.4 -20.02 65.48 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -96.46 -19.57 19.05 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 123.354 0.409 . . . . 1.0 110.926 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.79 19.5 20.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.216 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.725 ' NE2' ' H ' ' A' ' 63' ' ' ASP . 1.3 pm0 -74.11 -26.53 60.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.973 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.725 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 25.4 t70 -80.44 2.1 26.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.522 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 73' ' ' VAL . 50.3 mm -78.4 127.88 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.384 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 t -125.24 -40.45 2.13 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 p -128.89 169.33 14.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.542 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 44.7 mm -53.51 -44.77 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.335 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.4 ' OE1' HD11 ' A' ' 6' ' ' ILE . 1.8 mm100 -55.51 -42.39 74.43 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.384 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -58.29 -46.21 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.199 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 64' ' ' ILE . . . -66.05 -39.19 89.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.0 82.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.87 -45.53 94.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.875 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 64' ' ' ILE . 54.1 t -62.44 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.467 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.28 -48.48 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.308 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -47.87 -36.39 12.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 1.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.06 -43.55 99.29 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 1.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 78' ' ' LEU . 10.7 mp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.331 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.58 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -74.26 149.42 40.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 1.0 109.864 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.536 ' CD ' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -53.51 -22.27 7.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.529 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -72.37 -46.84 53.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.631 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -60.59 -43.08 97.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.643 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.44 HD11 ' OE1' ' A' ' 68' ' ' GLN . 56.3 mt -55.79 -39.83 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.359 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.674 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -63.84 -46.58 84.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.035 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 13' ' ' VAL . 89.8 t -64.0 -45.73 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -62.04 -47.21 85.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.998 -0.281 . . . . 1.0 110.647 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -50.43 -45.54 55.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.712 0.632 . . . . 1.0 110.727 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.13 -42.66 81.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.743 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 9' ' ' VAL . 84.7 t -64.29 -50.95 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.724 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.41 -34.61 78.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 1.0 110.864 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.5 mm-40 -67.77 -36.83 81.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.29 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -72.63 -35.76 67.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.103 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.81 -12.59 38.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.719 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.13 -152.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 53.5 mt -94.98 -22.04 18.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.94 -18.54 55.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.09 -32.15 18.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.692 0.282 . . . . 1.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -94.78 -3.38 49.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' VAL . 14.6 p -132.1 154.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.419 ' N ' HG22 ' A' ' 23' ' ' VAL . 11.3 p -126.72 130.54 71.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.172 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -116.73 134.89 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.193 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -131.96 162.06 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.444 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.15 -24.5 54.68 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.559 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 39.3 t0 -88.66 -8.04 55.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 m -77.54 134.26 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.778 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -93.0 143.4 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 60.7 m-85 -55.74 -41.6 74.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.761 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -61.49 -39.16 89.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -62.14 -39.92 94.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.15 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.29 -16.22 63.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.625 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.04 -7.57 33.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.05 -0.82 . . . . 1.0 111.05 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.28 109.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.846 -0.342 . . . . 1.0 110.4 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.566 ' CG ' ' H ' ' A' ' 38' ' ' SER . 41.6 t0 -92.9 -171.21 2.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.541 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.566 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -60.52 -45.73 92.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' OE1' ' A' ' 43' ' ' GLU . 83.3 mt -66.13 -39.26 89.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.007 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -73.15 -47.23 45.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.64 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -47.36 -34.5 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.099 0.476 . . . . 1.0 110.605 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -64.66 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.901 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 4.4 mp0 -68.02 -30.18 69.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.895 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.42 -46.19 80.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.173 -0.467 . . . . 1.0 112.186 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' CG2' ' OE2' ' A' ' 49' ' ' GLU . 2.1 p -61.59 -49.07 85.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.943 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 47' ' ' ASN . 20.8 ptp -62.59 -38.74 91.3 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.951 -0.299 . . . . 1.0 111.12 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.427 ' N ' ' HG3' ' A' ' 46' ' ' MET . 4.4 m120 -62.26 -43.48 98.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.387 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.94 -43.11 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.075 0.464 . . . . 1.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' OE2' ' CG2' ' A' ' 45' ' ' VAL . 92.7 mt-10 -57.91 -36.79 72.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.795 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -73.05 -38.77 66.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.743 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -69.74 -45.96 66.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.919 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -86.49 -7.26 58.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.518 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.02 48.49 85.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.285 -0.726 . . . . 1.0 111.285 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 pt -126.15 -167.11 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.79 0.329 . . . . 1.0 110.427 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -149.48 117.36 6.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.426 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.7 t -127.68 131.35 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.36 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -74.29 148.15 41.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.334 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.03 -36.38 83.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.559 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.82 -40.51 97.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 62' ' ' GLN . 98.4 mttt -66.72 -39.84 88.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 1.0 110.858 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 16.75 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.196 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 60' ' ' LYS . 86.5 mm-40 -78.03 -39.27 42.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -66.3 -17.86 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 73' ' ' VAL . 48.3 mm -66.09 128.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.351 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 19.9 m -130.97 -23.77 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.427 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 p -134.64 172.08 13.44 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.87 0.367 . . . . 1.0 110.431 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.418 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 5.7 mm -62.42 -43.45 98.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.624 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.44 ' OE1' HD11 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -56.72 -44.51 81.66 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.54 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.0 mt-30 -57.7 -41.43 81.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.954 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.55 89.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.502 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.62 81.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -42.73 99.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 64' ' ' ILE . 70.9 t -69.39 -43.71 80.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.565 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.34 -60.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.311 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.1 -34.68 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.735 0.303 . . . . 1.0 110.742 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.3 -41.06 96.67 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -64.22 -40.71 96.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 1.0 110.704 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.434 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.474 ' CG ' ' H ' ' A' ' 5' ' ' THR . 16.7 ptmt -136.91 170.12 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.485 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.453 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -63.91 -31.98 73.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.677 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -69.39 -46.97 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.735 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.474 ' H ' ' CG ' ' A' ' 2' ' ' LYS . 99.3 m -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.4 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.095 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.2 -42.56 98.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.731 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -63.38 -49.4 73.98 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.694 -0.402 . . . . 1.0 111.09 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.8 t -66.36 -45.64 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 1.0 109.953 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -61.43 -38.07 85.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.791 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.7 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.994 0.426 . . . . 1.0 110.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mt -71.78 -42.9 70.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.725 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 9' ' ' VAL . 72.5 t -63.72 -50.9 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.687 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -62.87 -33.81 76.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.93 0.395 . . . . 1.0 110.409 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 48.6 tp10 -70.66 -37.68 73.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 18.6 mmmt -72.11 -33.52 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.379 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 82.1 mt -92.29 -3.06 55.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.006 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.38 -171.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 1.0 110.482 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.94 -23.24 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.441 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.24 80.13 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 -47.17 5.06 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.768 0.318 . . . . 1.0 110.978 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.78 9.98 10.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.828 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 24' ' ' VAL . 13.2 p -131.4 155.67 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.363 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -124.44 129.78 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.01 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.23 139.27 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -138.63 158.48 44.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.261 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.4 65.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.199 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 43.4 t0 -87.89 -9.14 54.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.778 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 p -72.52 141.7 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.422 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -95.37 143.73 26.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.121 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 60.5 m-85 -55.11 -40.93 71.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.166 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -65.15 -35.35 80.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.148 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.48 -37.69 87.57 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 120.876 0.37 . . . . 1.0 110.588 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.98 -6.63 28.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.334 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 19.23 32.44 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -78.49 109.33 12.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.706 0.288 . . . . 1.0 110.323 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 41' ' ' THR . 72.0 m-20 -89.45 174.8 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -59.68 -36.81 77.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' O ' HG12 ' A' ' 42' ' ' VAL . 59.7 mt -68.32 -33.72 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.841 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -82.04 -39.37 23.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 1.0 110.89 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 38' ' ' SER . 4.1 p -45.86 -39.09 8.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.91 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 39' ' ' LEU . 3.7 p -65.12 -36.86 78.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.156 0.503 . . . . 1.0 110.235 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.47 -37.9 77.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mm -61.29 -50.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.733 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 46' ' ' MET . 7.3 p -68.45 -39.3 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.572 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.417 ' N ' HG13 ' A' ' 45' ' ' VAL . 56.4 ttm -59.53 -48.56 81.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.757 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -64.29 -42.16 96.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.667 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.72 -41.89 95.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.578 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -38.51 89.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.096 0.474 . . . . 1.0 110.35 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.48 -38.98 62.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.103 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -70.44 -42.72 71.16 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.911 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.96 -7.28 49.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.484 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 49.57 67.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.8 pt -124.88 163.9 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 1.5 m120 -127.53 120.17 27.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.429 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.61 138.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.168 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.9 t0 -70.65 143.05 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.272 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.4 tm-20 -65.75 -34.03 77.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.63 -31.26 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -79.72 -14.9 58.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.798 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.2 12.88 18.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 64' ' ' ILE . 96.7 mm-40 -70.01 -39.31 75.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.916 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -64.58 -1.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.595 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' H ' ' C ' ' A' ' 62' ' ' GLN . 51.2 mm -79.71 127.99 38.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.489 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -128.1 -39.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -128.43 173.93 9.78 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.766 0.317 . . . . 1.0 110.502 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.496 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 47.5 mm -57.94 -44.91 87.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.596 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -41.15 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.154 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -58.24 -44.16 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.232 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.09 86.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.349 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.5 86.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.668 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -40.21 96.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.436 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.89 -46.34 40.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.666 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.28 -55.34 23.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.353 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -50.79 -33.08 21.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 1.0 110.714 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.48 99.51 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.5 -41.4 96.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 1.0 110.666 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.427 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.84 170.97 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.09 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.434 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -65.72 -29.05 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.404 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.38 -47.68 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.863 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -61.8 -42.66 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.71 -40.07 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.69 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.53 -42.99 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.742 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -60.72 -50.97 71.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.103 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.9 t -66.96 -45.48 87.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.406 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.8 p -59.88 -39.43 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.52 -0.309 . . . . 1.0 110.963 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.98 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.04 0.447 . . . . 1.0 110.622 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -71.43 -42.85 73.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.7 t -61.53 -51.05 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.969 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.85 -32.5 74.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.724 -0.39 . . . . 1.0 109.982 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 18' ' ' ALA . 42.6 tp10 -71.12 -40.09 71.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.744 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -36.3 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.591 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.82 -8.3 49.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.357 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -179.35 -167.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.572 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.9 mp -81.86 -22.37 36.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 1.0 110.261 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.25 9.14 76.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.46 -61.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 1.0 110.689 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.02 3.45 55.72 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.694 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.84 132.99 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.3 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -119.81 128.93 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.067 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 p -118.4 144.59 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.304 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -137.11 161.95 34.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.315 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.39 67.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -87.19 -10.49 52.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -73.32 154.75 39.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.366 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -107.32 146.76 31.15 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.21 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.528 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 73.2 m-85 -57.71 -41.69 82.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.42 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -61.95 -40.56 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.669 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -60.13 -37.11 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.49 -5.06 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.509 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.62 16.54 45.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.268 -0.733 . . . . 1.0 111.268 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.07 108.1 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 1.0 110.414 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 29.5 p30 -98.35 -172.18 2.29 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.537 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.27 -44.75 92.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.734 -0.667 . . . . 1.0 110.446 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.05 -32.72 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.746 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 97.5 m-20 -84.24 -53.21 5.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 1.0 110.856 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 p -45.57 -41.58 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 1.0 111.545 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.68 -35.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.941 0.4 . . . . 1.0 109.991 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.47 -37.39 74.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.773 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -60.7 -51.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.912 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 46' ' ' MET . 7.6 p -68.31 -43.56 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 1.0 110.692 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.488 ' N ' HG13 ' A' ' 45' ' ' VAL . 59.3 ttp -59.56 -45.86 90.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.834 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -64.92 -42.41 94.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.771 0.319 . . . . 1.0 110.925 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.32 -42.54 96.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.899 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -57.48 -39.51 76.56 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.352 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.17 -37.29 69.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.984 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.94 -43.64 87.45 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.882 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -96.94 -1.68 45.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.671 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.97 51.82 47.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.47 156.06 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.876 0.37 . . . . 1.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -119.71 121.51 39.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.83 141.41 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.237 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -73.94 148.63 42.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -66.96 -35.27 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.737 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.6 p30 -62.31 -38.45 89.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 1.0 110.749 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.3 mttp -66.76 -40.08 88.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.23 14.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.158 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.426 ' C ' ' H ' ' A' ' 64' ' ' ILE . 76.1 mm-40 -71.26 -39.93 71.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.953 0.406 . . . . 1.0 111.0 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 49.5 t0 -63.5 -1.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.497 HD11 HG21 ' A' ' 73' ' ' VAL . 51.3 mm -78.44 126.7 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.333 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 p -127.27 -40.99 1.78 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.382 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.0 p -124.6 173.48 8.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.479 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.528 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.1 mm -59.03 -45.16 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.559 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -53.92 -41.79 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.335 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -58.94 -45.68 89.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.305 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.68 91.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.22 90.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.695 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.69 -41.38 99.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 1.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 64' ' ' ILE . 85.4 t -70.95 -45.84 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.75 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.16 -51.82 67.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.156 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -64.84 -33.24 75.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.099 0.476 . . . . 1.0 110.352 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.33 -23.59 64.62 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -84.97 -45.44 12.18 Favored 'General case' 0 N--CA 1.46 0.066 0 CA-C-O 121.163 0.506 . . . . 1.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.311 -179.21 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.3 157.33 22.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.846 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -63.06 -16.03 58.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.536 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 11.0 tm-20 -76.67 -43.65 37.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 m -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.519 HD11 ' OE1' ' A' ' 68' ' ' GLN . 55.2 mt -57.2 -38.83 63.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.04 -42.15 98.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.464 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -64.52 -48.99 73.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 1.0 110.938 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 13' ' ' VAL . 57.5 t -64.58 -46.1 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.36 -40.54 94.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.064 0.459 . . . . 1.0 110.78 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.36 -41.85 78.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.9 t -65.7 -51.39 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.509 -178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -63.2 -36.69 84.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.92 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' ALA . 66.5 mm-40 -71.82 -34.7 69.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HZ1' ' HG3' ' A' ' 43' ' ' GLU . 17.5 mmmt -73.2 -32.83 65.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.412 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.58 -2.15 52.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.115 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.37 -170.77 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.607 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 62.6 mt -70.33 -23.98 62.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.695 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.96 -23.05 37.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.66 -29.22 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 1.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -94.81 4.68 53.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.786 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 24' ' ' VAL . 5.8 p -131.13 154.45 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.339 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.429 ' N ' HG22 ' A' ' 23' ' ' VAL . 79.0 t -126.37 125.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 109.96 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -118.08 134.98 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.417 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -134.46 161.44 35.03 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.589 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.34 66.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -86.61 -9.67 55.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.673 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -76.88 146.44 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.573 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.11 141.34 35.11 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.317 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.532 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 62.4 m-85 -50.39 -39.37 46.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.517 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.8 p -62.62 -39.26 93.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.664 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -62.6 -38.06 88.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.77 -20.09 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.49 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.52 0.7 37.38 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 108.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.918 -0.313 . . . . 1.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.422 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 97.4 m-20 -93.42 -176.19 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.47 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.26 -45.47 93.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.455 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.22 -37.65 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.573 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 99.3 m-20 -78.65 -47.6 16.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 m -46.0 -45.48 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.017 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 p -64.55 -32.64 58.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.406 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.526 ' HG3' ' HZ1' ' A' ' 16' ' ' LYS . 1.2 tp10 -71.94 -35.17 69.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.481 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.43 -50.44 80.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.833 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 46' ' ' MET . 5.7 p -66.94 -42.5 88.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.449 ' N ' HG13 ' A' ' 45' ' ' VAL . 36.6 ttp -56.33 -47.3 79.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.877 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -65.98 -43.02 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.8 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.22 -42.88 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.589 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -58.46 -37.98 76.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.554 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.75 -37.02 65.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.812 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.1 tm-20 -68.06 -43.85 77.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.075 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 80.3 m-85 -93.23 -3.58 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.552 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.34 54.91 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.5 pt -125.24 -167.62 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.819 0.343 . . . . 1.0 110.459 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -148.52 115.49 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -132.94 133.35 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.317 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -89.63 151.91 21.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.386 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -60.56 -36.34 78.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.625 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -62.32 -36.67 82.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.435 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -84.77 -15.04 46.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.78 10.66 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.732 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -68.63 -38.42 80.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.882 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -6.16 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.66 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.6 mm -78.69 126.38 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.577 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 p -123.93 -43.79 2.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.5 p -126.93 178.05 6.22 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.657 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.532 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 42.5 mm -59.77 -44.63 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.32 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' OE1' HD11 ' A' ' 6' ' ' ILE . 3.1 mm100 -54.95 -42.73 72.68 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.596 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -56.93 -46.77 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.352 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.14 89.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.773 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -63.35 -39.96 95.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 1.0 110.544 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -73.21 -44.84 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.7 -49.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.149 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.06 -31.67 72.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.945 0.402 . . . . 1.0 110.76 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.83 -26.41 73.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.312 -0.715 . . . . 1.0 111.312 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.5 mt -75.12 -34.22 61.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.719 0.295 . . . . 1.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.822 -178.866 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.567 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -63.48 146.71 53.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.094 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -52.31 -18.78 1.72 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.585 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.434 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 44.0 tt0 -75.31 -47.19 28.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.47 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 m -60.08 -42.23 94.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.48 HD11 ' OE1' ' A' ' 68' ' ' GLN . 53.0 mt -58.46 -40.39 78.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.326 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.61 -43.93 96.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.836 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.68 -49.26 77.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.924 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 13' ' ' VAL . 84.0 t -66.2 -46.01 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.459 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -61.69 -40.46 95.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.583 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -60.02 -45.69 91.95 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 121.224 0.535 . . . . 1.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.12 -43.28 75.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.431 . . . . 1.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 9' ' ' VAL . 67.8 t -62.96 -50.69 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.268 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.9 -33.36 75.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.694 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.1 mt-10 -67.62 -42.69 81.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.951 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.59 ' HB3' ' HZ2' ' A' ' 16' ' ' LYS . 2.3 mtpm? -70.82 -35.45 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.33 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 80.3 mt -90.91 -2.54 57.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.933 -178.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . 174.19 -176.31 0.08 Allowed 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.494 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.6 mm? -82.94 -22.77 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.706 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.3 -5.23 84.27 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.08 -0.808 . . . . 1.0 111.08 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.45 -55.31 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 1.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -101.26 12.17 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.597 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 18' ' ' ALA . 77.9 t -118.92 133.68 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.813 0.34 . . . . 1.0 110.185 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.15 129.1 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.86 140.04 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.668 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.451 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.4 p -140.29 161.37 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.676 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.418 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -58.53 -24.6 61.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.417 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 50.8 t0 -87.89 -19.13 27.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.549 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB3' ' H ' ' A' ' 26' ' ' THR . 12.9 t -71.66 138.67 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.61 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 97.6 mt-10 -87.83 166.3 14.68 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 120.958 0.409 . . . . 1.0 110.754 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.47 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 63.5 m-85 -71.54 -36.73 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.972 0.415 . . . . 1.0 110.719 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 m -65.51 -42.97 91.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.264 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -62.94 -20.83 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.63 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 34' ' ' LEU . 60.2 mt -82.41 -6.38 59.25 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.268 -179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.72 9.37 52.78 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -63.27 145.15 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 1.0 110.37 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.554 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 99.7 m-20 -142.64 -177.1 5.13 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.681 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.08 -43.9 95.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -70.18 -32.52 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.714 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.554 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 7.3 m-20 -84.24 -49.01 9.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.977 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 37' ' ' ASP . 8.1 p -45.87 -44.33 14.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.042 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 43' ' ' GLU . 11.8 p -63.45 -38.37 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.46 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.473 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.2 mt-10 -66.71 -36.34 82.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.886 0.374 . . . . 1.0 110.589 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.82 -44.42 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.441 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.73 -46.48 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.25 -41.43 98.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-80 -66.4 -50.38 63.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.925 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.42 -43.87 93.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.754 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.3 -39.06 78.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -73.8 -33.16 64.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.687 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.63 -42.81 86.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.508 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.14 -1.89 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.538 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.12 50.24 65.86 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 111.145 -0.782 . . . . 1.0 111.145 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.5 pt -125.1 -168.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.397 . . . . 1.0 110.489 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 10.6 p30 -148.77 115.57 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.4 t -128.68 129.96 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.431 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.7 t0 -78.1 142.35 38.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 99.2 mt-10 -58.35 -35.34 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -65.12 -34.91 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.99 -15.24 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.565 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.77 11.72 23.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.511 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.429 ' C ' ' H ' ' A' ' 64' ' ' ILE . 95.7 mm-40 -69.66 -40.37 76.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.811 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 57.2 t0 -63.36 -1.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.449 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.429 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.7 mm -81.4 127.17 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.521 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 p -127.96 -39.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.502 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -127.38 174.51 8.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.47 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 43.6 mm -58.85 -47.8 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.518 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.48 ' OE1' HD11 ' A' ' 6' ' ' ILE . 7.6 mm100 -51.1 -40.03 57.5 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.18 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.279 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.47 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.709 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.718 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.58 -44.37 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.775 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.55 -44.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.764 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.51 -54.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.074 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -65.5 -32.69 74.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.423 . . . . 1.0 110.568 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.87 -27.6 64.64 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -78.01 -42.03 33.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.527 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 161.99 32.09 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.117 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.42 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -60.16 -31.98 70.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.653 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -65.0 -49.38 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.531 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.0 m -60.97 -42.06 97.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.829 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.514 HD11 ' OE1' ' A' ' 68' ' ' GLN . 96.3 mt -59.22 -40.89 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.966 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.72 -42.53 97.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.565 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -62.58 -48.08 81.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.981 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.0 t -64.07 -46.81 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.051 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.56 -39.81 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.596 -0.274 . . . . 1.0 110.675 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.76 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.492 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -69.17 -43.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.01 0.433 . . . . 1.0 110.42 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 9' ' ' VAL . 71.4 t -64.02 -49.01 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.619 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -65.62 -32.67 74.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.099 0.476 . . . . 1.0 110.361 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' ALA . 51.5 tp10 -69.24 -42.33 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.789 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -35.1 73.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.295 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 93.9 mt -85.95 -11.67 52.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.874 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.47 -174.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.347 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.7 mt -72.6 -23.36 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.877 0.37 . . . . 1.0 110.54 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.19 -17.24 52.85 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.703 -0.959 . . . . 1.0 110.703 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -50.53 60.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 1.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -96.18 1.9 52.64 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.42 132.43 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.148 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -118.57 131.37 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.4 t -116.62 136.17 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -133.19 165.86 23.81 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.78 -23.53 65.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.502 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.4 -20.22 26.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 m -69.71 140.12 53.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.362 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -98.8 143.7 28.85 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 73.1 m-85 -51.86 -40.91 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.852 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -61.21 -42.2 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 1.0 110.711 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -61.69 -38.19 86.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.76 -22.11 66.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.592 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 17.98 11.27 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 111.225 -0.75 . . . . 1.0 111.225 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.91 109.6 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 1.0 110.364 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -92.39 -168.55 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.543 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -61.81 -46.71 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.634 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.767 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.96 -44.74 91.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.0 m -46.36 -38.76 9.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 1.0 110.737 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.941 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 95.8 mt-10 -63.68 -39.35 94.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.678 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.4 HG23 HG22 ' A' ' 13' ' ' VAL . 38.7 mm -64.55 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 1.0 110.95 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.42 -44.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.367 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.66 -44.71 96.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.724 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.7 m-80 -64.89 -44.57 89.19 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.784 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.65 -42.24 91.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.032 0.444 . . . . 1.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.23 -39.77 87.87 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -73.86 -39.46 63.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -70.54 -44.03 68.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.719 -0.393 . . . . 1.0 110.882 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -88.44 -6.83 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.324 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.02 49.58 70.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.1 pt -127.59 162.63 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.838 0.352 . . . . 1.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -132.61 115.67 15.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.283 179.614 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.11 145.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.262 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.41 148.41 31.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -65.11 -37.27 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.5 p30 -50.38 -32.24 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.426 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.6 mttp -88.23 -13.28 41.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.343 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLU . . . -94.19 3.8 54.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.019 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -68.5 -37.75 80.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.864 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.63 -4.91 4.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.602 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 73' ' ' VAL . 46.3 mm -79.48 127.78 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 53.7 p -126.61 -36.63 2.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.596 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.0 p -125.23 172.67 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.74 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 41.5 mm -60.85 -44.02 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.372 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.514 ' OE1' HD11 ' A' ' 6' ' ' ILE . 2.4 mm100 -54.37 -45.01 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.284 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 81.8 mt-30 -59.31 -40.93 87.81 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.999 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -42.03 84.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.355 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 64' ' ' ILE . 73.3 t -70.26 -44.53 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.506 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.41 -60.47 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.115 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -48.93 -36.63 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.843 0.354 . . . . 1.0 110.663 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.93 -37.92 94.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.45 -39.6 92.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 1.0 110.849 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.489 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 139.99 30.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.423 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -46.35 -21.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.445 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -70.22 -45.64 66.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.2 m -64.51 -33.88 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.614 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.5 mm -61.36 -41.25 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.439 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.64 -41.13 97.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.66 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -58.15 -52.64 64.7 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.925 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.8 t -65.41 -45.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.404 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -60.22 -41.8 93.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.811 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.05 -46.2 90.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 1.0 110.592 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.34 -42.09 81.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.72 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 9' ' ' VAL . 61.7 t -64.09 -53.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.479 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.47 -32.86 73.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.937 0.399 . . . . 1.0 110.527 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.0 tt0 -70.06 -39.92 75.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.885 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -69.62 -36.86 76.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.548 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.63 -12.21 51.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.022 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.91 -171.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.351 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.586 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.0 mp -78.69 -23.49 45.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.78 -15.8 60.81 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.0 110.919 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -96.63 3.32 52.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.781 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.23 134.27 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 1.0 110.28 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 24' ' ' VAL . 12.8 p -116.87 128.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.157 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 p -117.26 146.07 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.384 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.2 p -139.13 158.95 43.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.461 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -56.24 -28.01 57.0 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.113 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 46.6 t0 -88.82 -11.02 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.677 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HB3' ' H ' ' A' ' 26' ' ' THR . 57.2 p -66.75 143.32 57.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.366 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.37 144.01 28.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.261 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 68.3 m-85 -57.15 -37.48 72.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.664 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.99 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.72 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -62.84 -39.89 95.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.3 mt -66.05 -20.43 66.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.78 6.17 37.98 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 108.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 1.0 110.437 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.593 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.0 t0 -101.25 -169.69 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.43 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.593 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.67 -44.92 96.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.397 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.87 -37.3 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.405 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 98.8 m-20 -82.33 -49.15 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.075 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 37' ' ' ASP . 52.7 m -45.92 -45.3 15.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.459 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 43' ' ' GLU . 12.8 p -63.51 -36.02 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.802 -0.359 . . . . 1.0 110.421 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 42' ' ' VAL . 80.6 mm-40 -68.27 -34.22 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.584 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -60.72 -49.31 85.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.675 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.57 -44.2 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.967 0.413 . . . . 1.0 110.747 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.6 ttm -55.23 -48.41 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.856 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.17 -44.19 92.84 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.949 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.01 -42.29 97.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.381 . . . . 1.0 110.704 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.85 -39.89 82.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -74.21 -36.12 63.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -66.36 -47.37 73.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -96.1 -2.76 45.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.588 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.31 45.52 82.88 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.4 pt -112.01 -170.93 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.868 0.366 . . . . 1.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -156.51 113.24 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.8 p -141.58 141.62 29.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.422 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -78.77 146.6 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.559 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.37 -33.72 76.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.592 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -51.49 -41.91 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.426 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.93 -13.38 59.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.24 6.03 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.685 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -67.6 -37.65 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 30.4 p-10 -64.95 -6.64 8.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.812 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 73' ' ' VAL . 47.8 mm -76.94 127.7 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.325 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -124.37 -38.28 2.44 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.547 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -131.48 177.51 7.44 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.86 0.362 . . . . 1.0 110.398 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.517 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.1 mm -59.75 -46.69 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.346 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.443 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 4.6 mm-40 -53.66 -41.24 66.62 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.42 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -59.44 -44.06 92.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.347 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.81 84.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 64.0 t0 -61.83 -39.84 93.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.664 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.494 HG21 HD11 ' A' ' 64' ' ' ILE . 75.5 t -75.33 -46.38 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.873 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.86 -53.12 50.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.312 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -56.99 -32.78 66.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.696 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.99 91.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.66 -42.34 91.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 1.0 110.933 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.733 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.9 170.78 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 1.0 109.981 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.466 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -66.91 -25.61 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.596 179.548 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.5 -47.46 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.503 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.534 HG21 ' OE2' ' A' ' 75' ' ' GLU . 13.3 m -60.36 -41.11 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.7 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.519 HD11 ' OE1' ' A' ' 68' ' ' GLN . 96.4 mt -59.87 -41.77 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.923 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -61.2 -46.12 91.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -59.51 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.639 -0.424 . . . . 1.0 111.178 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 13' ' ' VAL . 65.6 t -64.43 -44.96 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.048 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 p -65.75 -39.33 90.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.61 -45.76 90.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.27 0.557 . . . . 1.0 110.61 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -71.77 -42.94 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.618 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 9' ' ' VAL . 53.3 t -62.52 -57.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.917 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 16.7 ptmt -52.98 -38.88 62.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.179 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 95.0 mt-10 -70.68 -33.24 70.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -36.73 76.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.544 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -92.49 -10.6 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.921 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -173.8 -161.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.366 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.0 mp -85.98 -22.76 27.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.48 34.37 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.63 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 1.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 23.1 p-10 -93.27 6.35 48.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.76 134.74 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.191 0.52 . . . . 1.0 110.064 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.4 p -109.11 127.88 65.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.047 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -117.29 136.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.643 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -140.64 158.3 44.18 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 -26.35 58.17 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -85.76 -12.86 49.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 p -77.81 139.1 39.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.504 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 97.7 mt-10 -89.55 166.19 13.81 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.149 0.499 . . . . 1.0 110.707 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 59.4 m-85 -72.73 -40.58 65.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.114 0.483 . . . . 1.0 110.754 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -64.42 -44.74 90.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.967 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HG2' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -59.21 -21.51 59.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.506 -179.271 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.95 -7.89 59.62 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.371 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 6.38 56.97 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.42 108.17 0.24 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.883 0.373 . . . . 1.0 110.489 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.409 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 91.3 m-20 -94.98 -176.39 3.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.459 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -64.99 -38.81 92.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.571 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.4 mp -75.54 -21.5 57.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.564 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.409 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 92.7 m-20 -83.71 -50.2 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.883 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.3 m -45.93 -42.65 13.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.587 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.65 -37.28 79.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.227 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.57 -37.69 82.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.589 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 13' ' ' VAL . 47.4 mm -62.78 -48.28 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.775 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.69 -44.83 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.8 ttp -60.61 -44.98 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.408 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -66.03 -47.42 74.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.231 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.664 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.93 -37.32 79.16 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.54 -0.464 . . . . 1.0 110.716 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.58 -37.17 63.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.804 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -67.14 -50.83 59.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -87.97 -2.95 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.491 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.44 53.0 30.33 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.073 -0.811 . . . . 1.0 111.073 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.0 pt -120.13 -168.15 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 120.973 0.416 . . . . 1.0 110.667 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 7.8 p30 -156.4 108.87 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.404 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -133.07 139.66 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.627 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 58.4 t0 -74.08 147.57 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 56.7 mp0 -66.19 -32.69 74.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.653 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 22.1 m-20 -63.94 -40.1 95.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.1 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' C ' ' H ' ' A' ' 62' ' ' GLN . 68.6 mttm -67.35 -41.45 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 17.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.01 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.444 ' H ' ' C ' ' A' ' 60' ' ' LYS . 69.5 mm-40 -70.66 -39.7 73.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.872 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -63.63 -2.78 1.83 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.572 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 73' ' ' VAL . 48.8 mm -79.87 127.03 39.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 1.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.493 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 1.4 m -134.32 -18.77 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.27 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.53 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 33.6 p -137.54 168.87 18.8 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.637 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.508 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 42.5 mm -60.8 -44.87 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.504 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' OE1' HD11 ' A' ' 6' ' ' ILE . 3.3 mm100 -54.83 -45.4 74.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.354 -0.538 . . . . 1.0 110.547 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' A' ' 66' ' ' THR . 83.4 mt-30 -58.36 -43.61 88.44 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.116 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.04 97.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.52 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.44 81.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.84 -48.45 81.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.085 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 64' ' ' ILE . 61.1 t -61.68 -45.47 98.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -60.93 -51.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.361 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.534 ' OE2' HG21 ' A' ' 5' ' ' THR . 65.6 mm-40 -48.39 -37.14 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 1.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.74 97.22 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -41.36 96.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 1.0 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.561 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -77.73 144.3 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.146 0.498 . . . . 1.0 109.925 179.808 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -18.11 0.29 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.083 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' LYS . 85.4 mt-10 -73.59 -49.05 28.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.69 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.9 m -60.99 -42.36 98.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.611 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.49 -41.58 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.256 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -43.07 95.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.723 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -62.26 -48.44 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.103 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 t -65.46 -46.75 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.258 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 m -59.09 -40.94 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.595 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -61.56 -43.78 98.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.633 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.1 -42.7 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.035 0.445 . . . . 1.0 110.613 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 9' ' ' VAL . 96.7 t -65.11 -50.22 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.745 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -64.87 -37.28 87.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.772 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 18' ' ' ALA . 64.1 mm-40 -70.26 -36.17 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.937 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -72.03 -35.12 69.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.397 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -93.02 -6.1 49.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.054 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.23 -169.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.457 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.81 -19.62 30.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.532 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.06 -13.62 56.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 1.0 110.737 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -48.75 70.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 1.0 110.708 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 52.3 t0 -106.95 10.83 30.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.622 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -124.8 133.39 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.0 t -121.5 131.02 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.949 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -116.66 133.53 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.111 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -130.68 166.16 21.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.434 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -25.65 63.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.538 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 33.0 t0 -88.35 -8.23 55.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.773 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -76.89 134.66 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.544 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -93.43 141.66 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.019 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.11 -40.93 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.531 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.9 m -60.47 -41.65 94.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.843 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.12 -39.77 83.35 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.708 0.29 . . . . 1.0 110.54 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.57 -16.52 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.365 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.25 3.83 47.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 109.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 1.0 110.381 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 92.6 m-20 -88.97 -175.31 4.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.548 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.91 -49.27 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.539 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.85 -42.14 95.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.679 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 72.7 m-20 -63.3 -44.32 95.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.498 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.0 m -46.09 -39.72 9.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.865 0.364 . . . . 1.0 110.634 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.43 -43.79 94.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.303 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.31 -37.98 85.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.57 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.11 -48.92 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.66 -42.77 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.432 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -56.78 -47.54 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.873 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -65.01 -43.19 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.649 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.05 -43.84 94.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 1.0 110.627 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.09 -37.45 77.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.98 -38.48 61.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.985 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' OE1' ' CD2' ' A' ' 52' ' ' PHE . 14.4 tm-20 -67.16 -44.92 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.005 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.429 ' CD2' ' OE1' ' A' ' 51' ' ' GLU . 94.9 m-85 -94.72 -4.24 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.586 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.67 51.17 58.4 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.031 -0.827 . . . . 1.0 111.031 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.6 pt -126.87 -167.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 1.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -146.98 118.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.144 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.91 128.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.411 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -83.16 152.27 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -63.31 -27.88 69.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.365 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.16 -39.53 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.441 ' CD ' ' N ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -77.95 -14.09 59.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.3 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.605 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -68.5 -52.14 35.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.979 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 64' ' ' ILE . 37.1 p-10 -63.91 -28.69 70.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.736 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 73' ' ' VAL . 50.3 mm -58.8 124.5 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.403 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.432 ' HB2' HE22 ' A' ' 69' ' ' GLN . 67.1 m -134.09 -18.27 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.41 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 p -135.01 167.59 20.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mm -60.92 -43.76 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -44.98 79.25 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.421 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.432 HE22 ' HB2' ' A' ' 65' ' ' SER . 78.6 mt-30 -58.03 -41.07 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.007 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.1 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.65 -37.1 81.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.686 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.73 -44.4 96.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 64' ' ' ILE . 71.0 t -69.9 -43.4 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.389 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.38 -60.42 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.164 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.69 -30.73 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.878 0.37 . . . . 1.0 110.669 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.99 -40.78 95.4 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.63 -41.57 98.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.696 0.284 . . . . 1.0 110.63 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.487 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.426 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.401 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.25 170.47 12.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.295 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.448 ' CD ' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -64.45 -27.9 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.523 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.31 -48.15 74.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.1 m -63.1 -44.09 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.652 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -56.55 -36.46 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.121 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.43 -42.69 98.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -62.23 -53.91 48.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.988 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 13' ' ' VAL . 71.5 t -64.33 -47.28 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.691 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.7 p -61.53 -38.66 88.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.675 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.56 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.499 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.75 -42.32 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.139 0.495 . . . . 1.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 9' ' ' VAL . 68.8 t -60.72 -53.86 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.845 -0.616 . . . . 1.0 112.011 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -63.95 -32.71 74.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.794 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.8 mt-10 -67.64 -36.69 81.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.596 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -74.84 -32.62 61.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 1.0 111.217 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -95.6 -3.5 46.25 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.068 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.27 -172.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.74 -24.19 53.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 4.06 88.69 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.064 -0.814 . . . . 1.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.7 -62.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 1.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -86.05 13.99 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.672 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -119.41 132.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.993 0.425 . . . . 1.0 110.528 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 24' ' ' VAL . 14.6 p -101.48 127.61 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 1.0 110.381 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.28 137.0 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.832 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -141.47 159.49 42.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.785 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -57.05 -30.01 63.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.298 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -80.67 -8.59 59.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 m -71.7 132.34 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.605 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -93.76 147.79 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.458 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.625 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -61.27 -41.65 97.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.68 -39.06 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 34' ' ' LEU . 95.5 mt -65.98 -10.22 37.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.516 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.3 5.78 55.75 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 109.14 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 1.0 110.607 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -89.4 -175.11 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.361 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.01 -47.21 86.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.475 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.11 -42.55 89.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.495 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.51 -45.72 89.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -46.62 -38.08 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.352 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.15 -43.0 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.515 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.94 -36.78 85.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.022 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.21 -51.98 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.231 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.89 -35.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.046 0.451 . . . . 1.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 tpp -61.82 -46.36 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.627 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -67.03 -43.14 83.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.84 -42.76 97.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.482 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -61.06 -38.46 86.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.416 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.08 -36.73 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.057 0.456 . . . . 1.0 111.188 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.16 -49.05 75.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.982 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -94.4 -6.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.38 39.48 97.82 Favored Glycine 0 C--N 1.33 0.242 0 N-CA-C 111.331 -0.708 . . . . 1.0 111.331 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 pt -108.17 -168.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.872 0.368 . . . . 1.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -149.02 125.75 11.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.26 133.18 52.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.7 t0 -77.18 152.83 34.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.435 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.4 tm-20 -65.76 -35.88 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.481 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.22 -40.2 96.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.611 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.6 mttp -67.58 -35.52 79.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.05 0.452 . . . . 1.0 111.045 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.84 8.53 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.918 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.433 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 91.7 mm-40 -71.91 -39.92 69.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -72.04 -0.37 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.535 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.3 mm -88.67 125.12 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 5.7 t -132.88 -22.95 2.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.429 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.459 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 73.6 p -131.05 169.14 16.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.49 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.71 -44.56 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.405 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -54.2 -46.8 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.442 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 65' ' ' SER . 83.7 mt-30 -57.01 -44.71 83.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.131 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.51 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.181 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.19 -35.13 73.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.696 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.37 -39.25 89.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.402 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 82.6 t -76.07 -45.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.152 0.501 . . . . 1.0 111.199 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.6 -54.11 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.786 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.9 pp20? -49.43 -36.17 21.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.615 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.55 -42.86 99.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.092 -0.803 . . . . 1.0 111.092 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.97 -39.65 93.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 1.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.551 -179.69 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.592 ' HZ1' ' HB2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -132.8 161.63 33.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.173 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.575 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -57.62 -27.72 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.434 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -67.48 -51.73 47.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.57 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.517 ' CB ' ' HZ3' ' A' ' 2' ' ' LYS . 80.0 m -61.83 -36.37 80.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.783 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 3' ' ' LYS . 94.0 mt -60.68 -41.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.303 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -41.95 99.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -61.72 -49.95 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.166 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.4 t -65.52 -45.92 91.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -50.04 75.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.872 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 40.8 t0 -48.86 -47.02 43.16 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.482 0.488 . . . . 1.0 110.896 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.89 -42.25 85.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.956 0.408 . . . . 1.0 110.706 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 9' ' ' VAL . 73.0 t -62.87 -49.97 81.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.4 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -68.51 -31.69 71.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.914 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' ALA . 67.5 mt-10 -67.7 -39.96 84.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 1.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -33.0 60.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.001 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 88.1 mt -92.99 -0.93 57.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.819 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.58 -172.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.51 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.93 -25.33 62.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.44 -23.43 25.0 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.05 -32.15 16.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.841 0.353 . . . . 1.0 110.756 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.77 2.76 56.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.723 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.73 150.47 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 24' ' ' VAL . 7.8 p -134.4 120.7 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.397 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.31 150.97 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.137 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 28' ' ' ASP . 2.0 p -136.04 166.08 24.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.02 -12.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.366 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 26' ' ' THR . 43.5 t0 -100.6 -9.64 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.686 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -73.76 127.71 33.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.579 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -89.34 141.8 28.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 76.0 m-85 -56.61 -41.27 76.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -59.0 -41.46 87.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.0 -17.32 64.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.504 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.65 8.28 43.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.061 -0.815 . . . . 1.0 111.061 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 108.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 1.0 110.545 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 85.0 m-20 -93.72 -176.59 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.541 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.07 -47.5 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.509 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.9 mt -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.479 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 99.2 m-20 -76.0 -46.88 27.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -44.88 -45.34 10.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.84 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.46 -32.73 51.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.391 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 21.3 tp10 -67.95 -35.14 77.89 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 40' ' ' ASP . 45.5 mm -61.96 -46.96 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.78 -42.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 tpp -56.57 -47.74 78.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.76 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -63.87 -43.18 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.73 -43.2 89.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.927 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' GLY . 91.1 mt-10 -58.93 -41.74 88.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -73.54 -35.33 65.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.842 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.8 -46.17 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.834 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -98.93 -4.68 32.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 1.0 110.651 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 61.38 48.62 84.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.096 -0.802 . . . . 1.0 111.096 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 pt -123.27 162.29 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.297 -0.26 . . . . 1.0 110.297 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -119.86 114.99 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.42 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.91 131.32 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.4 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.86 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.384 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.88 -27.94 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.72 -39.43 94.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.74 -13.41 54.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.41 7.2 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.651 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.481 ' C ' ' H ' ' A' ' 64' ' ' ILE . 99.5 mm-40 -70.09 -41.9 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.853 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.46 1.36 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.4 mm -84.95 130.31 36.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.632 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -129.85 -37.66 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 p -130.04 177.28 7.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.879 0.371 . . . . 1.0 110.4 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.489 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 48.1 mm -59.53 -44.72 93.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.602 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.41 ' OE1' HD11 ' A' ' 6' ' ' ILE . 2.1 mm100 -56.1 -44.0 78.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.516 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -56.15 -45.05 79.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.268 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.06 90.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.36 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.77 -39.88 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.6 t -76.34 -45.89 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.07 -52.6 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.592 ' HB2' ' HZ1' ' A' ' 2' ' ' LYS . 1.5 pp20? -56.27 -34.6 66.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.08 99.31 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.7 -40.17 92.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.329 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.34 -179.57 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.447 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -82.49 175.52 10.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.205 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -69.07 -26.43 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.821 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.82 -48.32 59.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.834 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 m -61.11 -44.54 97.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -56.41 -38.99 58.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.383 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.537 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -61.83 -50.23 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.932 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.1 t -67.49 -46.29 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.554 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.47 -44.4 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.18 -42.82 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.952 0.406 . . . . 1.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.5 t -65.89 -51.04 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.248 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.01 -31.71 72.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.584 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 18' ' ' ALA . 12.0 tm-20 -69.87 -40.84 75.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.66 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -35.24 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.426 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 86.8 mt -86.37 -7.73 58.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.053 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . 175.42 -177.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.485 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.37 -24.36 62.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.659 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.63 -13.65 63.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -50.16 44.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 1.0 110.7 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.5 3.38 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.635 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.423 HG21 ' CB ' ' A' ' 18' ' ' ALA . 77.6 t -118.57 132.01 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.324 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.97 129.94 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.429 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -116.6 136.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.193 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.74 167.07 17.0 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.693 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.2 -22.14 66.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.594 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 52.6 t0 -92.19 -7.55 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.685 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 m -77.75 135.23 37.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.603 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -89.55 142.14 27.94 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -53.77 -40.7 66.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.686 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -62.36 -38.62 90.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -38.19 88.28 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.56 -20.58 66.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 1.0 109.594 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.65 6.82 32.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.31 109.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 1.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 99.3 m-20 -88.0 -176.3 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.94 -49.48 77.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.546 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 12.6 m-20 -65.14 -44.71 87.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.394 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.3 m -46.17 -39.43 9.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.803 0.335 . . . . 1.0 110.537 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.54 -42.47 93.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 81.0 mm-40 -61.5 -39.55 91.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.448 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.58 -47.75 91.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.595 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.9 -43.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.971 0.415 . . . . 1.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 tpp -60.36 -45.6 92.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.891 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.6 m-80 -64.79 -47.37 78.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.799 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.47 -44.18 95.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.85 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.42 -36.94 85.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.907 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -76.21 -37.28 57.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.67 -43.42 69.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.721 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -94.18 -5.9 46.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.9 49.59 65.79 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 pt -121.99 161.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 1.0 110.489 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -124.59 122.74 38.41 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.429 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.43 141.32 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.42 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.96 147.26 41.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.788 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.3 -34.69 78.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -62.03 -39.93 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.0 mtpm? -66.74 -41.84 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.75 23.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.874 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 60' ' ' LYS . 80.2 mm-40 -79.28 -35.3 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.614 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.61 -0.98 4.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.37 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 73' ' ' VAL . 48.0 mm -77.15 125.69 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 m -124.52 -36.93 2.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 p -128.74 174.93 9.01 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.92 0.39 . . . . 1.0 110.476 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.92 -43.65 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.752 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -40.63 79.24 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.63 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -57.82 -44.17 86.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.063 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.34 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.488 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.2 89.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.01 -41.17 99.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.533 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 64' ' ' ILE . 91.9 t -71.54 -43.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.747 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.91 -59.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.212 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -48.21 -32.34 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.502 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.62 90.42 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.72 -39.11 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.854 0.359 . . . . 1.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.043 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.631 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -69.63 161.72 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.158 0.504 . . . . 1.0 110.035 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.76 -15.11 57.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.637 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 81.7 tt0 -76.75 -46.71 24.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.553 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -60.85 -42.16 97.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.704 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.94 -38.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.501 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -63.51 -38.03 89.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.479 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -64.76 -50.04 68.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.235 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 13' ' ' VAL . 57.4 t -65.84 -45.04 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.482 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -61.1 -38.83 87.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.699 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.644 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.1 mt -71.72 -42.39 70.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.701 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 9' ' ' VAL . 75.2 t -64.77 -51.92 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.198 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.03 -33.44 75.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 1.0 110.682 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 79.3 tt0 -70.56 -39.34 74.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.776 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.02 -35.68 72.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.49 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.95 -8.73 53.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.97 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.61 -171.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.488 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.4 mp -79.21 -22.85 44.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.403 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.14 -0.86 82.17 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.68 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.717 0.294 . . . . 1.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -97.22 9.69 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG21 ' CB ' ' A' ' 18' ' ' ALA . 69.8 t -119.87 133.8 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.135 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 24' ' ' VAL . 13.9 p -112.05 126.83 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.205 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.7 140.0 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -140.8 161.27 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.672 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -23.69 64.01 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.391 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.8 -16.59 31.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.713 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 m -71.76 137.01 47.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.493 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.07 151.62 21.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 56.6 m-85 -58.8 -41.44 86.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -62.04 -40.5 95.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -58.88 -39.81 82.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.796 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.91 -21.56 65.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.634 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.01 -9.96 22.94 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 109.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 1.0 110.433 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.07 -175.09 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.408 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.93 -41.86 92.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' O ' HG12 ' A' ' 42' ' ' VAL . 52.9 mt -65.22 -38.87 91.75 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.527 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.92 -37.45 29.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.539 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.5 m -45.73 -43.6 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.723 0.296 . . . . 1.0 111.007 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 39' ' ' LEU . 8.7 p -66.06 -35.29 74.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.53 -39.17 81.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.773 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -59.84 -51.08 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.945 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.23 -36.71 77.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.614 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.4 tpp -60.85 -48.04 83.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.708 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -65.16 -42.54 93.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.672 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.98 -44.69 91.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 1.0 110.931 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.68 -37.07 82.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.648 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.4 -37.14 60.67 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.935 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -66.77 -45.15 79.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.999 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -96.36 -3.54 43.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.42 50.0 61.98 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 HD12 ' A' ' 77' ' ' LEU . 43.3 pt -121.37 178.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 120.881 0.372 . . . . 1.0 110.486 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -142.65 125.59 16.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.479 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.17 139.03 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.426 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -77.13 145.76 37.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.454 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -66.14 -35.13 79.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.438 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -62.9 -34.95 78.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -81.52 -15.08 56.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.573 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.29 15.12 20.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.731 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.17 -38.4 78.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.797 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 35.4 p-10 -63.54 -7.79 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.697 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 73' ' ' VAL . 46.2 mm -75.55 127.22 36.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.456 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 17.1 m -138.76 -19.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 p -137.73 172.63 12.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.931 0.396 . . . . 1.0 110.472 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.497 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 40.4 mm -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.484 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -55.24 -46.51 76.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.466 -0.493 . . . . 1.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -59.69 -42.92 94.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.06 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.64 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.499 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.74 73.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.897 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.532 0.52 . . . . 1.0 111.022 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 64' ' ' ILE . 79.0 t -69.07 -42.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.623 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 54' ' ' ILE . 55.8 mt -59.09 -55.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.141 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.61 -29.4 17.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 1.0 110.836 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.03 95.04 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.599 HD12 HD12 ' A' ' 54' ' ' ILE . 95.4 mt -66.23 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.628 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.505 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.237 -0.653 . . . . 1.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.428 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -82.34 156.93 23.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.743 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -59.21 -21.58 59.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.493 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.86 -44.72 65.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.473 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.9 m -63.31 -44.42 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.75 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.458 HD11 ' OE1' ' A' ' 68' ' ' GLN . 59.0 mt -56.59 -38.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.443 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.37 -40.57 96.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -61.6 -50.26 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.02 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.3 t -65.5 -46.19 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.445 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.6 p -59.21 -40.95 87.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.63 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.37 -46.39 90.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.484 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.11 -43.05 85.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.414 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 9' ' ' VAL . 68.8 t -64.92 -51.68 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.767 -178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -62.54 -36.78 83.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.943 0.402 . . . . 1.0 110.33 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.8 mt-10 -70.26 -38.94 75.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HZ1' ' HB3' ' A' ' 43' ' ' GLU . 18.5 mmmt -69.24 -36.44 77.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.486 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -88.44 -9.79 51.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.173 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 180.0 -170.65 0.15 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.92 -0.312 . . . . 1.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.8 mt -74.4 -23.79 59.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.03 53.09 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.13 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 1.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -97.05 4.34 51.44 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.566 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.61 133.74 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.317 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.9 t -117.86 131.02 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.959 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.46 133.9 61.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.892 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 162.99 26.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.235 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.34 66.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.467 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -88.14 -19.91 26.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.709 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.548 ' OG ' HD21 ' A' ' 34' ' ' LEU . 12.2 t -70.79 136.67 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 1.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -94.72 143.41 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.206 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 78.2 m-85 -50.73 -33.68 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.701 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.28 -45.48 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.896 -0.322 . . . . 1.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.25 -35.28 79.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.62 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 ' OG ' ' A' ' 29' ' ' SER . 54.8 mt -65.48 -20.03 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.428 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.65 0.41 52.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.59 108.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.402 . . . . 1.0 110.449 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -92.74 -166.07 1.46 Allowed 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.287 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -69.0 -40.24 78.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.174 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.1 mm? -66.09 -38.8 89.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.45 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.7 m-20 -77.68 -44.86 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.772 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.8 m -46.0 -41.57 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.026 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -70.34 -32.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.32 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 96.0 mt-10 -70.48 -37.18 74.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.771 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.33 -51.03 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.962 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 46' ' ' MET . 7.5 p -65.98 -40.71 88.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.507 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.436 ' N ' HG13 ' A' ' 45' ' ' VAL . 53.0 ttm -55.97 -48.51 75.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.408 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.08 -42.69 93.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.696 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.69 -41.94 95.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 1.0 110.581 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLY . 93.3 mt-10 -60.12 -42.25 94.36 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -74.26 -39.28 63.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.992 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.8 tm-20 -67.86 -42.32 81.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.94 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 73.6 m-85 -95.84 -7.24 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.522 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 60.27 47.31 91.73 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.43 163.42 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.649 0.262 . . . . 1.0 110.423 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -120.39 112.61 19.21 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.401 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.84 132.89 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.867 0.365 . . . . 1.0 110.023 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -82.27 150.68 27.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.283 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.35 -33.6 76.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 48.4 p-10 -62.9 -35.51 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.97 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.6 mptt -81.79 -14.36 56.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.861 0.362 . . . . 1.0 110.11 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.93 7.88 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -68.41 -38.15 81.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.902 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 27.3 p-10 -65.08 -6.76 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.38 125.29 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.449 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.3 p -120.44 -44.29 2.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.397 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.6 p -127.53 176.81 7.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.799 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.507 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 38.6 mm -58.97 -45.47 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.131 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.458 ' OE1' HD11 ' A' ' 6' ' ' ILE . 5.9 mm100 -53.68 -41.68 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.571 -0.451 . . . . 1.0 110.108 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -59.27 -45.08 92.2 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.229 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.21 -41.72 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.489 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.72 -36.28 82.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.749 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.29 -39.44 92.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.37 -45.29 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.81 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.52 -56.8 14.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.184 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.457 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.22 -33.23 8.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.18 97.59 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.2 mt -64.13 -42.53 96.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 1.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.538 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.487 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -79.73 171.16 15.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.243 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -66.19 -29.64 69.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.73 -51.04 64.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.807 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -59.18 -41.04 87.51 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.878 0.37 . . . . 1.0 110.582 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.14 -41.69 90.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.223 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.46 -41.15 93.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.599 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -63.08 -47.79 81.38 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.981 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.7 t -65.45 -45.99 91.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.793 0.33 . . . . 1.0 110.201 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.5 p -61.85 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 1.0 110.525 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.13 -44.53 96.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.786 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.04 -44.01 81.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.161 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 9' ' ' VAL . 93.9 t -63.64 -55.63 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -53.71 -35.39 61.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.7 mm-40 -72.97 -39.25 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.903 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -67.41 -37.75 83.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.732 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.99 -12.36 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.479 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.47 -161.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 1.0 110.32 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.3 mp -80.93 -22.94 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.824 0.345 . . . . 1.0 110.276 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.97 -6.88 79.89 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.65 -42.43 14.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 1.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -101.65 11.91 38.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.3 t -123.47 133.29 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 1.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.26 126.19 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.055 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.89 137.96 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -138.23 163.17 32.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.482 ' HB1' ' HG2' ' A' ' 68' ' ' GLN . . . -64.75 -15.63 61.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.814 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -100.32 -7.95 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -76.56 129.17 36.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 110.828 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.21 147.3 29.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.617 . . . . 1.0 110.396 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 67' ' ' ILE . 57.1 m-85 -60.61 -42.44 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.735 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.7 m -59.79 -40.9 89.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.753 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.14 -37.47 85.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.964 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.02 -21.29 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.396 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.56 -2.21 34.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.308 -0.717 . . . . 1.0 111.308 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.86 108.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.054 0.454 . . . . 1.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 98.7 m-20 -92.05 -176.03 4.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.195 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.66 -45.28 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.651 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -66.44 -35.45 80.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 1.0 110.322 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 98.6 m-20 -80.06 -51.6 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -48.17 -43.84 31.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.829 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.86 -32.68 59.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 1.0 109.839 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.63 -33.74 71.33 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.317 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.8 -50.91 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.179 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.93 -34.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.32 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 tpp -60.0 -48.49 81.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.238 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -65.79 -42.35 90.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.021 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.11 -42.18 96.98 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.89 -39.61 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.016 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.56 -40.98 63.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.22 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -71.05 -41.77 70.32 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 1.0 110.915 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -90.39 -6.95 54.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.18 48.11 87.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.516 -0.634 . . . . 1.0 111.516 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.87 -174.22 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.905 0.383 . . . . 1.0 110.756 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -148.11 124.04 10.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.304 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.02 137.73 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.985 0.421 . . . . 1.0 110.531 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' H ' ' HE2' ' A' ' 60' ' ' LYS . 44.0 t0 -79.3 153.19 30.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.531 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.0 -34.59 78.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.581 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -60.29 -44.46 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.489 ' C ' ' H ' ' A' ' 62' ' ' GLN . 28.7 mtmm -66.12 -40.81 90.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.555 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.48 24.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.93 -32.84 40.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.718 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.38 -8.52 40.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.642 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 73' ' ' VAL . 32.3 mm -71.74 130.09 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.649 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -130.2 -30.64 1.94 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.489 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.443 ' HG1' ' HG3' ' A' ' 68' ' ' GLN . 5.9 p -128.68 174.87 9.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.003 0.43 . . . . 1.0 110.362 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 31' ' ' PHE . 6.8 mm -61.51 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.915 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.482 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -64.55 -33.09 75.11 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.126 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.438 ' N ' ' OE1' ' A' ' 68' ' ' GLN . 44.6 mm-40 -53.23 -45.91 68.92 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 119.844 -0.743 . . . . 1.0 109.128 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.7 81.76 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.946 -0.761 . . . . 1.0 108.946 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.93 82.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.287 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.9 -42.68 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.781 0.324 . . . . 1.0 111.162 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 64' ' ' ILE . 80.3 t -63.55 -43.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.596 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.0 -46.7 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.613 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.89 -36.52 65.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.975 0.417 . . . . 1.0 110.469 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.45 98.88 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.054 -0.818 . . . . 1.0 111.054 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -40.9 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.673 0.273 . . . . 1.0 110.645 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp -62.67 -40.68 97.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.076 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.06 -34.14 77.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.591 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -61.32 -45.76 93.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.808 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -84.23 146.52 27.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.447 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.687 179.686 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.466 ' C39' ' O35' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.48 166.89 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.171 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.578 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.13 -43.3 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.585 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.9 m -61.25 -44.69 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.427 HD11 ' OE1' ' A' ' 68' ' ' GLN . 56.0 mt -61.94 -43.62 97.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.239 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -63.45 -51.6 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.184 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 87.4 t -64.6 -46.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.608 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -59.37 -42.83 92.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.85 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.95 -46.21 90.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.08 0.467 . . . . 1.0 110.953 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -43.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 9' ' ' VAL . 50.7 t -58.56 -55.07 25.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.376 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ALA . 2.2 pttm -64.15 -29.62 70.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 123.547 0.53 . . . . 1.0 110.487 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.1 tt0 -62.32 -39.7 93.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.244 0.545 . . . . 1.0 110.384 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 10.1 mtpp -75.29 -32.7 61.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.112 0.482 . . . . 1.0 110.61 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 mt -95.46 -6.73 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.79 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -174.25 -167.68 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.563 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.5 mm? -86.0 -23.5 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.8 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.86 7.64 86.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.11 -62.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 1.0 110.575 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -91.7 14.07 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.541 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -113.25 133.3 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 1.0 110.272 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.9 133.73 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.09 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.6 t -116.43 141.08 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.756 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -135.1 155.56 50.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.435 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -26.48 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.89 -7.05 57.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 p -72.71 134.95 45.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.939 0.4 . . . . 1.0 110.577 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -93.97 143.41 26.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.327 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 64.7 m-85 -55.06 -31.16 60.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.726 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -59.03 -46.06 89.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.763 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 10.8 mptt -63.36 -37.1 85.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.689 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.1 -18.36 65.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.406 0.441 . . . . 1.0 110.32 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.29 44.27 5.05 Favored Glycine 0 N--CA 1.461 0.33 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.62 107.2 19.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 1.0 110.291 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.464 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 97.6 m-20 -90.32 -179.02 5.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.46 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.29 -44.84 92.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.13 -39.61 82.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.605 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.464 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 14.7 m-20 -74.29 -49.43 23.11 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 37' ' ' ASP . 8.0 p -48.54 -39.33 23.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.434 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.568 ' O ' ' SD ' ' A' ' 46' ' ' MET . 41.5 t -64.14 -47.1 91.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.301 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 93.6 mt-10 -55.87 -30.94 62.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 1.0 110.51 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.36 -42.62 87.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.81 -55.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.298 -178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.568 ' SD ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -61.68 -38.85 89.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.1 m-80 -62.95 -50.08 72.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.8 -43.72 71.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.753 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.22 -37.57 77.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -74.51 -35.82 63.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -66.27 -44.1 84.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.75 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -98.31 -0.45 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.57 53.7 27.73 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.3 pt -123.02 162.56 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 1.0 110.497 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -123.47 122.0 37.13 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.94 141.53 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.67 143.27 40.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.608 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -66.86 -32.18 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.58 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.49 -29.29 69.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.526 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -82.0 -14.38 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.644 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.25 16.17 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.55 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.538 ' NE2' ' O40' ' A' ' 101' ' ' PNS . 27.5 mm100 -71.53 -37.6 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.799 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.61 -2.73 5.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.407 HD11 HG21 ' A' ' 73' ' ' VAL . 51.4 mm -75.64 128.12 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.703 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -129.5 -40.99 1.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -123.72 176.78 6.05 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.919 0.39 . . . . 1.0 110.441 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.413 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 43.9 mm -60.39 -46.65 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.427 ' OE1' HD11 ' A' ' 6' ' ' ILE . 1.6 mm100 -54.79 -40.59 69.62 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.577 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -58.64 -46.27 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.166 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.88 90.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.521 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.97 85.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.45 -40.33 94.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.008 0.432 . . . . 1.0 110.525 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.407 HG21 HD11 ' A' ' 64' ' ' ILE . 82.0 t -74.36 -44.68 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.649 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.89 -53.91 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.228 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.09 -36.89 66.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.493 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.07 98.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.14 -39.38 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.94 0.4 . . . . 1.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.5 -39.81 92.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.613 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -53.36 -27.95 26.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -61.47 -45.36 94.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.516 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -88.44 145.56 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.554 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.959 -1.019 . . . . 1.0 110.571 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.538 ' O40' ' NE2' ' A' ' 62' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.572 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -73.74 164.53 26.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 1.0 109.922 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -65.53 -14.26 60.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.52 -0.764 . . . . 1.0 110.686 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 81.5 tt0 -77.88 -46.66 20.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.616 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m -60.95 -40.85 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.63 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.75 -42.01 87.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.251 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.23 -41.44 96.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -62.33 -48.63 78.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.37 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.2 t -65.26 -46.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -62.93 -36.16 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 1.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.22 -43.5 97.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.647 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.47 -42.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 1.0 110.848 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' VAL . 75.7 t -63.82 -49.94 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.438 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -63.8 -31.92 73.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 1.0 110.662 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.9 tp10 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.847 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -34.74 69.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.505 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD21 ' OD2' ' A' ' 40' ' ' ASP . 83.8 mt -88.13 -7.38 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.026 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 23' ' ' VAL . . . 176.59 -176.02 0.13 Allowed 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 120.918 0.39 . . . . 1.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.4 mm? -76.35 -22.92 54.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.587 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 -14.57 62.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.09 -49.76 54.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 1.0 110.704 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -100.64 6.67 44.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 18' ' ' ALA . 76.0 t -122.78 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.195 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' VAL . 10.7 p -122.15 132.39 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.88 136.15 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.176 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -130.72 162.94 28.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.511 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.5 66.14 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 57.9 t0 -86.28 -16.95 35.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.642 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -71.59 141.64 50.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.636 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -100.11 141.89 32.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.241 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 63.5 m-85 -49.97 -41.39 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.696 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.96 -41.61 96.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.08 -37.8 86.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.804 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.64 -21.65 66.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.589 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.83 6.13 37.9 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 108.57 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' A' ' 38' ' ' SER . 32.2 t70 -91.42 -176.33 4.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.543 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -63.13 -39.64 95.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.634 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 42' ' ' VAL . 55.0 mt -63.58 -40.79 97.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.606 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' OD2' HD21 ' A' ' 17' ' ' LEU . 9.3 t70 -79.2 -34.53 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.757 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -45.39 -40.51 8.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.8 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 39' ' ' LEU . 3.5 p -66.91 -35.99 76.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 1.0 110.625 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.519 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 96.1 mt-10 -68.25 -37.67 80.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.432 HD11 ' OD2' ' A' ' 40' ' ' ASP . 37.7 mm -62.76 -48.7 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.71 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.85 -44.33 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.636 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.7 ttm -58.16 -45.91 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.774 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 3.1 m-80 -63.52 -44.01 95.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.891 0.377 . . . . 1.0 110.698 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 mt -66.04 -42.02 90.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.037 0.446 . . . . 1.0 110.857 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -57.91 -40.21 79.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.72 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -72.35 -39.23 68.26 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -67.83 -45.78 73.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.886 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -90.87 -5.22 55.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.561 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.97 52.44 46.72 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 pt -126.3 -172.41 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 1.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -151.67 112.13 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.412 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.16 138.78 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.592 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -76.7 146.59 37.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -62.97 -34.64 77.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.439 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 96.3 m-20 -61.68 -40.86 96.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.487 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.4 mtpm? -66.3 -41.4 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.879 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.53 26.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.028 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.91 -28.57 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.716 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -75.67 -2.77 31.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.571 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 73' ' ' VAL . 47.1 mm -77.26 129.07 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 32.2 t -129.77 -27.35 2.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.8 p -133.62 173.76 11.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.529 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.525 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.9 mm -61.88 -44.0 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.368 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -55.65 -47.0 77.4 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.745 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.534 ' OE1' ' N ' ' A' ' 65' ' ' SER . 80.7 mt-30 -55.78 -41.81 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.093 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.74 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.71 86.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.771 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.53 -42.91 99.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 64' ' ' ILE . 81.1 t -69.63 -44.5 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.583 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.27 -60.7 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.264 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.79 -31.07 25.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.662 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.66 -32.35 83.17 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.75 -0.94 . . . . 1.0 110.75 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 81' ' ' LYS . 85.2 mt -72.81 -39.06 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 1.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.0 mm? -60.78 -43.5 98.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.922 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.65 -38.31 80.35 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.713 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -128.38 61.61 1.47 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.608 0.718 . . . . 1.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' LEU . 48.6 mtpt -60.35 146.06 45.59 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.994 -1.003 . . . . 1.0 110.374 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.063 -0.97 . . . . 1.0 110.52 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 168.67 19.21 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.318 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -61.93 -29.84 70.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -67.49 -49.89 61.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.532 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 m -60.34 -42.77 96.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.771 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.89 -39.69 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.102 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -60.74 -43.4 97.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.479 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -60.78 -52.4 65.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 t -65.75 -45.29 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.396 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 t -61.66 -41.14 97.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -60.27 -43.85 95.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.579 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -42.83 78.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 1.0 110.595 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 9' ' ' VAL . 69.0 t -64.98 -50.68 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.21 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.0 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.617 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.4 mt-10 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.667 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.0 mmmt -71.35 -36.08 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.125 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.76 -14.26 42.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.854 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.7 -157.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 1.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -84.78 -17.93 36.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.47 -22.77 33.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.6 -39.22 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 1.0 110.607 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 48.1 t0 -84.83 -3.57 58.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.496 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.1 151.19 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.39 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -121.74 127.96 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.097 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.0 t -116.5 134.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.608 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -136.14 163.18 30.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.609 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.32 63.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 51.1 t0 -88.42 -17.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.607 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 p -71.65 143.32 49.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.607 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.99 145.85 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.375 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 70.1 m-85 -53.64 -42.71 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.768 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.4 m -61.61 -41.87 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.39 -38.24 88.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.893 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.96 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.68 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.33 -9.17 30.9 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.99 109.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 1.0 110.533 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.2 t0 -91.84 -171.51 2.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.954 0.406 . . . . 1.0 110.504 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.562 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -62.96 -40.17 96.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.505 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.3 mp -69.11 -40.34 78.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.03 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.46 -42.76 67.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.278 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -45.88 -32.25 2.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.513 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 t -67.16 -43.19 88.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.187 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 14.0 mp0 -68.31 -36.95 80.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -62.99 -52.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.029 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 46' ' ' MET . 12.9 p -67.95 -42.38 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.51 ' N ' HG13 ' A' ' 45' ' ' VAL . 54.6 ttm -59.0 -45.09 91.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.518 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -65.76 -43.27 89.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.1 -43.26 95.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.743 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.07 -37.5 80.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.826 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -74.93 -36.77 62.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.83 -44.33 85.89 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.595 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -97.76 -2.59 40.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.617 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.11 52.8 44.57 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.0 pt -125.45 152.55 32.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.76 0.314 . . . . 1.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -111.23 114.29 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.583 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.58 132.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.567 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -81.29 142.52 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.465 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -60.82 -26.78 67.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.74 -40.26 91.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.363 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.63 -13.0 58.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.42 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.92 7.96 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.627 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -69.51 -39.81 77.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.955 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 53.6 t0 -65.06 -7.91 14.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.467 HD11 HG21 ' A' ' 73' ' ' VAL . 40.0 mm -79.8 130.76 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.72 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.54 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 16.5 m -139.03 -24.2 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.525 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.8 p -132.94 171.48 13.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.516 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 46.4 mm -60.94 -43.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.629 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -56.08 -47.0 78.82 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.765 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.54 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -57.38 -42.09 81.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.071 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.9 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.36 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.62 71.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 1.0 110.704 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.5 -38.32 86.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.536 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.467 HG21 HD11 ' A' ' 64' ' ' ILE . 77.2 t -76.48 -45.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.74 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.76 -55.59 22.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.041 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.8 pp20? -48.68 -36.34 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.565 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.444 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.38 -40.96 98.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.439 HD23 ' NZ ' ' A' ' 80' ' ' LYS . 68.5 mt -65.67 -42.58 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.635 0.255 . . . . 1.0 110.722 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 78' ' ' LEU . 9.6 mp -60.74 -41.79 96.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.433 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.21 -35.7 81.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.505 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' NZ ' HD23 ' A' ' 77' ' ' LEU . 8.0 ttpm? -61.4 -45.73 93.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.652 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 78' ' ' LEU . 57.5 pttt -97.89 160.31 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.615 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.022 -0.99 . . . . 1.0 110.658 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.434 ' O27' ' C34' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.057 -0.72 . . . . 1.0 109.057 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -81.84 159.31 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.902 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.53 -16.68 61.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.462 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 9.3 tm-20 -75.16 -44.84 44.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 1.0 110.661 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.547 HD11 ' OE1' ' A' ' 68' ' ' GLN . 57.1 mt -60.38 -42.9 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.159 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.42 -39.99 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.489 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -63.92 -53.02 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 1.0 111.263 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 13' ' ' VAL . 55.0 t -63.52 -44.79 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.242 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.3 p -59.57 -40.51 87.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 1.0 110.576 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.19 -43.18 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.333 0.587 . . . . 1.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.9 mt -68.66 -41.96 82.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.371 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 9' ' ' VAL . 85.3 t -66.04 -54.69 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.088 -0.505 . . . . 1.0 112.044 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -58.64 -37.13 75.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.936 0.398 . . . . 1.0 110.732 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' ALA . 93.7 mt-10 -72.13 -35.69 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -71.83 -35.66 69.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.541 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -89.12 -12.54 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.011 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.52 -162.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 1.0 110.493 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.9 mt -77.51 -23.02 50.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.615 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.85 -23.18 37.12 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.16 -29.18 17.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.753 0.311 . . . . 1.0 110.808 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.17 -1.19 57.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.97 152.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -127.4 126.35 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.052 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 p -119.26 140.9 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.246 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.409 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.4 p -133.63 161.9 33.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.522 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -57.39 -23.55 49.93 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.174 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -94.97 -9.04 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.792 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB3' ' H ' ' A' ' 26' ' ' THR . 39.9 t -74.2 137.7 43.26 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.781 0.324 . . . . 1.0 110.461 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -90.55 147.7 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 62.6 m-85 -59.72 -39.85 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.571 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.56 -37.07 84.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.739 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -63.03 -39.99 96.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.59 -16.2 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.295 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.42 -1.39 37.16 Favored Glycine 0 N--CA 1.464 0.556 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.904 -0.318 . . . . 1.0 110.329 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' A' ' 38' ' ' SER . 42.4 t0 -94.4 -172.84 2.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.079 0.466 . . . . 1.0 110.473 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.558 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.13 -31.72 71.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.9 m-20 -81.75 -47.63 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.996 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 37' ' ' ASP . 3.3 p -45.65 -40.75 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.045 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.83 -33.95 58.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.303 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ASP . 94.4 mt-10 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.675 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.29 -46.43 95.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.573 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.6 -43.57 83.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.17 -47.28 78.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.802 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.07 -42.84 96.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.713 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.1 -42.18 94.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.843 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -58.42 -39.86 80.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.726 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -75.2 -36.11 61.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 14.0 tm-20 -65.97 -44.7 84.19 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.098 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 96.5 m-85 -98.54 -5.81 31.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.498 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 45.68 95.29 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.255 -0.738 . . . . 1.0 111.255 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.05 -168.13 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.82 0.343 . . . . 1.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.27 124.7 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.2 131.34 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 54.8 t0 -78.68 150.65 32.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 98.4 mt-10 -62.44 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.09 -41.61 99.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.785 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.9 mttp -66.39 -39.27 88.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.745 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.51 23.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 1.0 111.145 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' H ' ' C ' ' A' ' 60' ' ' LYS . 83.9 mm-40 -82.94 -31.07 27.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.14 1.08 29.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.704 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.509 HD11 HG21 ' A' ' 73' ' ' VAL . 48.7 mm -85.95 126.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.04 0.447 . . . . 1.0 110.515 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.525 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 3.1 m -133.2 -17.91 2.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.279 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 23.2 p -137.76 168.75 19.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.926 0.393 . . . . 1.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.473 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 6.0 mm -61.84 -43.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.596 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.547 ' OE1' HD11 ' A' ' 6' ' ' ILE . 1.2 mm100 -56.28 -44.33 79.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 66' ' ' THR . 86.2 mt-30 -58.71 -40.96 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.83 94.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.6 78.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -61.95 -41.33 97.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.509 HG21 HD11 ' A' ' 64' ' ' ILE . 92.7 t -73.13 -44.38 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.613 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.5 -58.71 6.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.44 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.0 -31.53 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.61 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -42.3 99.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.0 -41.39 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 1.0 110.729 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 78' ' ' LEU . 9.7 mp -60.67 -41.85 95.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.441 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.42 -34.25 77.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.384 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 81' ' ' LYS . 17.4 ttmm -74.83 -72.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.029 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 82' ' ' ALA . 24.2 mmtp 43.57 -169.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.972 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.098 -0.954 . . . . 1.0 110.473 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.412 ' O40' ' S44' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.578 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -75.96 166.97 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.059 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.696 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.627 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -60.9 -45.76 93.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 1.0 110.887 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.4 HD11 ' OE1' ' A' ' 68' ' ' GLN . 69.1 mt -56.87 -36.14 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.5 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -64.02 -39.33 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.621 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -65.45 -52.41 53.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.04 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 13' ' ' VAL . 10.8 t -65.71 -46.31 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.7 p -60.99 -38.09 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.677 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -62.88 -43.73 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.469 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.8 -43.53 69.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.858 0.361 . . . . 1.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 9' ' ' VAL . 69.5 t -62.74 -51.4 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.421 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -64.29 -32.68 74.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.935 0.398 . . . . 1.0 110.775 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' A' ' 18' ' ' ALA . 49.4 tp10 -73.74 -39.55 64.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.743 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -32.98 65.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.411 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 84.0 mt -93.78 -0.8 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.001 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 175.62 -172.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.515 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.5 mp -72.43 -24.59 61.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.446 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.14 -22.63 38.61 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.22 15.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.701 0.286 . . . . 1.0 110.769 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -96.1 8.4 43.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.731 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.38 151.02 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.36 121.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.105 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 p -117.66 136.38 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -139.68 159.34 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.07 60.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.291 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 45.9 t0 -89.39 -10.37 46.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.606 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.6 p -76.2 139.89 41.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.568 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' H ' ' HE2' ' A' ' 33' ' ' LYS . 96.8 mt-10 -94.03 148.89 21.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.289 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 82.5 m-85 -58.25 -34.63 70.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -60.72 -44.26 96.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HE2' ' H ' ' A' ' 30' ' ' GLU . 52.9 mtmt -61.85 -36.26 80.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.781 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.67 -14.94 63.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 -1.97 52.09 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.62 108.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.541 ' CG ' ' H ' ' A' ' 38' ' ' SER . 26.0 t70 -91.58 -173.61 3.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.466 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.541 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.68 -46.99 87.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.467 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 53.4 mt -67.04 -42.07 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.73 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 93.6 m-20 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -45.75 -38.38 6.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.705 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.77 -42.75 89.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.466 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -62.53 -37.58 86.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.373 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.02 -48.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.55 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.93 -42.58 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.366 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 tpp -58.24 -47.83 82.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.73 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.5 m-80 -62.93 -43.92 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.537 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.45 -43.28 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 1.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -58.45 -40.43 82.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -75.23 -36.52 61.31 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.793 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -66.55 -45.9 77.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.921 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -97.43 -2.0 43.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.686 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.4 48.27 76.94 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -121.19 -167.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.694 0.283 . . . . 1.0 110.357 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -142.89 115.29 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.25 131.89 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.0 t0 -102.01 152.88 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.283 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 81.4 tt0 -58.2 -37.63 75.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.292 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.551 ' O ' ' OE1' ' A' ' 62' ' ' GLN . 98.0 m-20 -67.4 -20.02 65.48 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -96.46 -19.57 19.05 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 123.354 0.409 . . . . 1.0 110.926 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.79 19.5 20.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.216 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.725 ' NE2' ' H ' ' A' ' 63' ' ' ASP . 1.3 pm0 -74.11 -26.53 60.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.973 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.725 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 25.4 t70 -80.44 2.1 26.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.522 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 73' ' ' VAL . 50.3 mm -78.4 127.88 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.384 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 t -125.24 -40.45 2.13 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 p -128.89 169.33 14.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.542 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 44.7 mm -53.51 -44.77 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.335 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.4 ' OE1' HD11 ' A' ' 6' ' ' ILE . 1.8 mm100 -55.51 -42.39 74.43 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.384 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -58.29 -46.21 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.199 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 64' ' ' ILE . . . -66.05 -39.19 89.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.0 82.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.87 -45.53 94.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.875 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 64' ' ' ILE . 54.1 t -62.44 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.467 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.28 -48.48 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.308 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -47.87 -36.39 12.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 1.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.06 -43.55 99.29 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 1.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 78' ' ' LEU . 10.7 mp -61.31 -40.13 93.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.331 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.04 -41.69 63.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.622 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 82' ' ' ALA . 62.4 mttp -74.18 -51.25 16.09 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.182 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp 39.48 -92.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.938 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 80' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.551 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.58 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -74.26 149.42 40.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 1.0 109.864 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.536 ' CD ' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -53.51 -22.27 7.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.529 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -72.37 -46.84 53.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.631 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -60.59 -43.08 97.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.643 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.44 HD11 ' OE1' ' A' ' 68' ' ' GLN . 56.3 mt -55.79 -39.83 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.359 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.674 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -63.84 -46.58 84.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.035 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 13' ' ' VAL . 89.8 t -64.0 -45.73 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -62.04 -47.21 85.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.998 -0.281 . . . . 1.0 110.647 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -50.43 -45.54 55.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.712 0.632 . . . . 1.0 110.727 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.13 -42.66 81.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.743 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 9' ' ' VAL . 84.7 t -64.29 -50.95 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.724 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.41 -34.61 78.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 1.0 110.864 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.5 mm-40 -67.77 -36.83 81.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.29 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -72.63 -35.76 67.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.103 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.81 -12.59 38.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.719 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.13 -152.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 53.5 mt -94.98 -22.04 18.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.94 -18.54 55.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.09 -32.15 18.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.692 0.282 . . . . 1.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -94.78 -3.38 49.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' VAL . 14.6 p -132.1 154.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.419 ' N ' HG22 ' A' ' 23' ' ' VAL . 11.3 p -126.72 130.54 71.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.172 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -116.73 134.89 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.193 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -131.96 162.06 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.444 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.15 -24.5 54.68 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.559 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 39.3 t0 -88.66 -8.04 55.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 m -77.54 134.26 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.778 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -93.0 143.4 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 60.7 m-85 -55.74 -41.6 74.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.761 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -61.49 -39.16 89.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -62.14 -39.92 94.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.15 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.29 -16.22 63.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.625 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.04 -7.57 33.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.05 -0.82 . . . . 1.0 111.05 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.28 109.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.846 -0.342 . . . . 1.0 110.4 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.566 ' CG ' ' H ' ' A' ' 38' ' ' SER . 41.6 t0 -92.9 -171.21 2.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.541 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.566 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -60.52 -45.73 92.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' OE1' ' A' ' 43' ' ' GLU . 83.3 mt -66.13 -39.26 89.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.007 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -73.15 -47.23 45.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.64 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -47.36 -34.5 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.099 0.476 . . . . 1.0 110.605 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -64.66 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.901 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 4.4 mp0 -68.02 -30.18 69.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.895 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.42 -46.19 80.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.173 -0.467 . . . . 1.0 112.186 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' CG2' ' OE2' ' A' ' 49' ' ' GLU . 2.1 p -61.59 -49.07 85.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.943 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 47' ' ' ASN . 20.8 ptp -62.59 -38.74 91.3 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.951 -0.299 . . . . 1.0 111.12 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' N ' ' HG3' ' A' ' 46' ' ' MET . 4.4 m120 -62.26 -43.48 98.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.387 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.94 -43.11 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.075 0.464 . . . . 1.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' OE2' ' CG2' ' A' ' 45' ' ' VAL . 92.7 mt-10 -57.91 -36.79 72.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.795 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -73.05 -38.77 66.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.743 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -69.74 -45.96 66.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.919 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -86.49 -7.26 58.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.518 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.02 48.49 85.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.285 -0.726 . . . . 1.0 111.285 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 pt -126.15 -167.11 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.79 0.329 . . . . 1.0 110.427 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -149.48 117.36 6.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.426 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.7 t -127.68 131.35 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.36 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -74.29 148.15 41.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.334 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.03 -36.38 83.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.559 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.82 -40.51 97.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 62' ' ' GLN . 98.4 mttt -66.72 -39.84 88.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 1.0 110.858 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 16.75 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.196 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 60' ' ' LYS . 86.5 mm-40 -78.03 -39.27 42.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -66.3 -17.86 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 73' ' ' VAL . 48.3 mm -66.09 128.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.351 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 19.9 m -130.97 -23.77 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.427 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 p -134.64 172.08 13.44 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.87 0.367 . . . . 1.0 110.431 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.418 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 5.7 mm -62.42 -43.45 98.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.624 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.44 ' OE1' HD11 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -56.72 -44.51 81.66 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.54 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.0 mt-30 -57.7 -41.43 81.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.954 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.55 89.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.502 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.62 81.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -42.73 99.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 64' ' ' ILE . 70.9 t -69.39 -43.71 80.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.565 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.34 -60.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.311 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.1 -34.68 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.735 0.303 . . . . 1.0 110.742 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.3 -41.06 96.67 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -64.22 -40.71 96.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 1.0 110.704 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? -61.43 -40.43 94.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.434 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.44 -33.52 63.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.632 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -61.48 -31.09 71.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.517 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -72.6 -169.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.534 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.957 -1.02 . . . . 1.0 110.63 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.526 ' O40' ' N36' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.474 ' CG ' ' H ' ' A' ' 5' ' ' THR . 16.7 ptmt -136.91 170.12 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.485 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -63.91 -31.98 73.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.677 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -69.39 -46.97 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.735 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.474 ' H ' ' CG ' ' A' ' 2' ' ' LYS . 99.3 m -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.4 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.095 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.2 -42.56 98.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.731 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -63.38 -49.4 73.98 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.694 -0.402 . . . . 1.0 111.09 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.8 t -66.36 -45.64 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 1.0 109.953 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -61.43 -38.07 85.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.791 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.7 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.994 0.426 . . . . 1.0 110.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mt -71.78 -42.9 70.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.725 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 9' ' ' VAL . 72.5 t -63.72 -50.9 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.687 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -62.87 -33.81 76.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.93 0.395 . . . . 1.0 110.409 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 48.6 tp10 -70.66 -37.68 73.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 18.6 mmmt -72.11 -33.52 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.379 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 82.1 mt -92.29 -3.06 55.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.006 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.38 -171.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 1.0 110.482 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.94 -23.24 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.441 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.24 80.13 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 -47.17 5.06 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.768 0.318 . . . . 1.0 110.978 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.78 9.98 10.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.828 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 24' ' ' VAL . 13.2 p -131.4 155.67 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.363 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -124.44 129.78 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.01 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.23 139.27 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -138.63 158.48 44.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.261 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.4 65.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.199 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 43.4 t0 -87.89 -9.14 54.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.778 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 p -72.52 141.7 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.422 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -95.37 143.73 26.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.121 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 60.5 m-85 -55.11 -40.93 71.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.166 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -65.15 -35.35 80.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.148 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.48 -37.69 87.57 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 120.876 0.37 . . . . 1.0 110.588 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.98 -6.63 28.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.334 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 19.23 32.44 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -78.49 109.33 12.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.706 0.288 . . . . 1.0 110.323 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 41' ' ' THR . 72.0 m-20 -89.45 174.8 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -59.68 -36.81 77.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' O ' HG12 ' A' ' 42' ' ' VAL . 59.7 mt -68.32 -33.72 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.841 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -82.04 -39.37 23.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 1.0 110.89 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 38' ' ' SER . 4.1 p -45.86 -39.09 8.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.91 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 39' ' ' LEU . 3.7 p -65.12 -36.86 78.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.156 0.503 . . . . 1.0 110.235 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.47 -37.9 77.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mm -61.29 -50.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.733 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 46' ' ' MET . 7.3 p -68.45 -39.3 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.572 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.417 ' N ' HG13 ' A' ' 45' ' ' VAL . 56.4 ttm -59.53 -48.56 81.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.757 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -64.29 -42.16 96.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.667 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.72 -41.89 95.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.578 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -38.51 89.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.096 0.474 . . . . 1.0 110.35 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.48 -38.98 62.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.103 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -70.44 -42.72 71.16 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.911 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.96 -7.28 49.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.484 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 49.57 67.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.8 pt -124.88 163.9 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 1.5 m120 -127.53 120.17 27.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.429 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.61 138.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.168 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.9 t0 -70.65 143.05 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.272 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.4 tm-20 -65.75 -34.03 77.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.63 -31.26 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -79.72 -14.9 58.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.798 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.2 12.88 18.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 64' ' ' ILE . 96.7 mm-40 -70.01 -39.31 75.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.916 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -64.58 -1.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.595 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' H ' ' C ' ' A' ' 62' ' ' GLN . 51.2 mm -79.71 127.99 38.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.489 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -128.1 -39.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -128.43 173.93 9.78 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.766 0.317 . . . . 1.0 110.502 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.496 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 47.5 mm -57.94 -44.91 87.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.596 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -41.15 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.154 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -58.24 -44.16 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.232 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.09 86.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.349 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.5 86.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.668 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -40.21 96.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.436 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.89 -46.34 40.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.666 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.28 -55.34 23.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.353 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -50.79 -33.08 21.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 1.0 110.714 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.48 99.51 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.5 -41.4 96.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 1.0 110.666 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.0 mm? -61.7 -41.94 98.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.427 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.58 -25.96 66.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.554 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -60.0 -29.87 68.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.54 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -59.07 -42.67 90.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.408 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.055 -0.974 . . . . 1.0 110.706 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.84 170.97 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.09 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -65.72 -29.05 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.404 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.38 -47.68 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.863 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -61.8 -42.66 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.71 -40.07 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.69 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.53 -42.99 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.742 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -60.72 -50.97 71.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.103 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.9 t -66.96 -45.48 87.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.406 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.8 p -59.88 -39.43 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.52 -0.309 . . . . 1.0 110.963 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.98 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.04 0.447 . . . . 1.0 110.622 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -71.43 -42.85 73.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.7 t -61.53 -51.05 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.969 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.85 -32.5 74.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.724 -0.39 . . . . 1.0 109.982 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 18' ' ' ALA . 42.6 tp10 -71.12 -40.09 71.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.744 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -36.3 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.591 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.82 -8.3 49.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.357 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -179.35 -167.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.572 ' N ' HD12 ' A' ' 19' ' ' LEU . 9.9 mp -81.86 -22.37 36.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 1.0 110.261 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.25 9.14 76.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.46 -61.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 1.0 110.689 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.02 3.45 55.72 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.694 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.84 132.99 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.3 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -119.81 128.93 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.067 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 p -118.4 144.59 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.304 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -137.11 161.95 34.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.315 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.39 67.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -87.19 -10.49 52.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -73.32 154.75 39.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.366 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -107.32 146.76 31.15 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.21 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.528 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 73.2 m-85 -57.71 -41.69 82.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.42 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -61.95 -40.56 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.669 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -60.13 -37.11 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.49 -5.06 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.509 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.62 16.54 45.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.268 -0.733 . . . . 1.0 111.268 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.07 108.1 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 1.0 110.414 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 29.5 p30 -98.35 -172.18 2.29 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.537 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.27 -44.75 92.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.734 -0.667 . . . . 1.0 110.446 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.05 -32.72 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.746 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 97.5 m-20 -84.24 -53.21 5.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 1.0 110.856 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 p -45.57 -41.58 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 1.0 111.545 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.68 -35.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.941 0.4 . . . . 1.0 109.991 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.47 -37.39 74.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.773 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -60.7 -51.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.912 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 46' ' ' MET . 7.6 p -68.31 -43.56 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 1.0 110.692 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.488 ' N ' HG13 ' A' ' 45' ' ' VAL . 59.3 ttp -59.56 -45.86 90.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.834 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -64.92 -42.41 94.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.771 0.319 . . . . 1.0 110.925 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.32 -42.54 96.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.899 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -57.48 -39.51 76.56 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.352 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.17 -37.29 69.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.984 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.94 -43.64 87.45 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.882 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -96.94 -1.68 45.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.671 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.97 51.82 47.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.47 156.06 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.876 0.37 . . . . 1.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -119.71 121.51 39.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.83 141.41 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.237 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -73.94 148.63 42.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -66.96 -35.27 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.737 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.6 p30 -62.31 -38.45 89.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 1.0 110.749 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.3 mttp -66.76 -40.08 88.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.23 14.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.158 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.426 ' C ' ' H ' ' A' ' 64' ' ' ILE . 76.1 mm-40 -71.26 -39.93 71.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.953 0.406 . . . . 1.0 111.0 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 49.5 t0 -63.5 -1.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.497 HD11 HG21 ' A' ' 73' ' ' VAL . 51.3 mm -78.44 126.7 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.333 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 p -127.27 -40.99 1.78 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.382 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.0 p -124.6 173.48 8.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.479 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.528 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.1 mm -59.03 -45.16 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.559 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -53.92 -41.79 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.335 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -58.94 -45.68 89.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.305 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.68 91.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.22 90.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.695 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.69 -41.38 99.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 1.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 64' ' ' ILE . 85.4 t -70.95 -45.84 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.75 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.16 -51.82 67.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.156 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -64.84 -33.24 75.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.099 0.476 . . . . 1.0 110.352 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.33 -23.59 64.62 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -84.97 -45.44 12.18 Favored 'General case' 0 N--CA 1.46 0.066 0 CA-C-O 121.163 0.506 . . . . 1.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 81' ' ' LYS . 3.8 mt -63.32 -41.89 98.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.311 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -48.2 -39.03 19.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.774 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.42 -42.3 95.75 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.595 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 78' ' ' LEU . 16.6 ptpt -97.64 149.5 22.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.016 0.436 . . . . 1.0 110.568 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.802 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.4 ' O27' ' C34' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.3 157.33 22.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.846 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -63.06 -16.03 58.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.536 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 11.0 tm-20 -76.67 -43.65 37.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 m -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.519 HD11 ' OE1' ' A' ' 68' ' ' GLN . 55.2 mt -57.2 -38.83 63.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.04 -42.15 98.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.464 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -64.52 -48.99 73.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 1.0 110.938 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 13' ' ' VAL . 57.5 t -64.58 -46.1 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.36 -40.54 94.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.064 0.459 . . . . 1.0 110.78 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.36 -41.85 78.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.9 t -65.7 -51.39 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.509 -178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -63.2 -36.69 84.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.92 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' ALA . 66.5 mm-40 -71.82 -34.7 69.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HZ1' ' HG3' ' A' ' 43' ' ' GLU . 17.5 mmmt -73.2 -32.83 65.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.412 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.58 -2.15 52.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.115 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.37 -170.77 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.607 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 62.6 mt -70.33 -23.98 62.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.695 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.96 -23.05 37.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.66 -29.22 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 1.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -94.81 4.68 53.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.786 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 24' ' ' VAL . 5.8 p -131.13 154.45 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.339 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.429 ' N ' HG22 ' A' ' 23' ' ' VAL . 79.0 t -126.37 125.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 109.96 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -118.08 134.98 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.417 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -134.46 161.44 35.03 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.589 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.34 66.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -86.61 -9.67 55.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.673 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -76.88 146.44 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.573 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.11 141.34 35.11 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.317 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.532 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 62.4 m-85 -50.39 -39.37 46.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.517 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.8 p -62.62 -39.26 93.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.664 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -62.6 -38.06 88.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.77 -20.09 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.49 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.52 0.7 37.38 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 108.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.918 -0.313 . . . . 1.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 97.4 m-20 -93.42 -176.19 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.47 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.26 -45.47 93.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.455 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.22 -37.65 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.573 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 99.3 m-20 -78.65 -47.6 16.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 m -46.0 -45.48 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.017 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 p -64.55 -32.64 58.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.406 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.526 ' HG3' ' HZ1' ' A' ' 16' ' ' LYS . 1.2 tp10 -71.94 -35.17 69.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.481 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.43 -50.44 80.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.833 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 46' ' ' MET . 5.7 p -66.94 -42.5 88.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.449 ' N ' HG13 ' A' ' 45' ' ' VAL . 36.6 ttp -56.33 -47.3 79.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.877 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -65.98 -43.02 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.8 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.22 -42.88 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.589 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -58.46 -37.98 76.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.554 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.75 -37.02 65.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.812 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.1 tm-20 -68.06 -43.85 77.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.075 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 80.3 m-85 -93.23 -3.58 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.552 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.34 54.91 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.5 pt -125.24 -167.62 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.819 0.343 . . . . 1.0 110.459 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -148.52 115.49 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -132.94 133.35 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.317 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -89.63 151.91 21.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.386 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -60.56 -36.34 78.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.625 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -62.32 -36.67 82.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.435 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -84.77 -15.04 46.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.78 10.66 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.732 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -68.63 -38.42 80.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.882 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -6.16 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.66 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.6 mm -78.69 126.38 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.577 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 p -123.93 -43.79 2.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.5 p -126.93 178.05 6.22 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.657 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.532 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 42.5 mm -59.77 -44.63 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.32 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' OE1' HD11 ' A' ' 6' ' ' ILE . 3.1 mm100 -54.95 -42.73 72.68 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.596 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -56.93 -46.77 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.352 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.14 89.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.773 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -63.35 -39.96 95.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 1.0 110.544 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -73.21 -44.84 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.7 -49.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.149 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.06 -31.67 72.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.945 0.402 . . . . 1.0 110.76 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.83 -26.41 73.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.312 -0.715 . . . . 1.0 111.312 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' LYS . 56.5 mt -75.12 -34.22 61.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.719 0.295 . . . . 1.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.55 -43.06 99.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.822 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' H ' ' HG2' ' A' ' 79' ' ' GLU . 8.1 pt-20 -70.64 -49.28 49.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.657 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 81' ' ' LYS . 7.7 ttpm? -69.71 -49.03 57.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.827 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' LYS . 39.7 mmtt 44.58 -171.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.743 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.336 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.567 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -63.48 146.71 53.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.094 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -52.31 -18.78 1.72 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.585 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.434 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 44.0 tt0 -75.31 -47.19 28.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.47 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 m -60.08 -42.23 94.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.48 HD11 ' OE1' ' A' ' 68' ' ' GLN . 53.0 mt -58.46 -40.39 78.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.326 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.61 -43.93 96.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.836 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.68 -49.26 77.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.924 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 13' ' ' VAL . 84.0 t -66.2 -46.01 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.459 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -61.69 -40.46 95.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.583 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -60.02 -45.69 91.95 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 121.224 0.535 . . . . 1.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.12 -43.28 75.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.431 . . . . 1.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 9' ' ' VAL . 67.8 t -62.96 -50.69 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.268 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.9 -33.36 75.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.694 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.1 mt-10 -67.62 -42.69 81.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.951 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.59 ' HB3' ' HZ2' ' A' ' 16' ' ' LYS . 2.3 mtpm? -70.82 -35.45 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.33 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 80.3 mt -90.91 -2.54 57.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.933 -178.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . 174.19 -176.31 0.08 Allowed 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.494 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.6 mm? -82.94 -22.77 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.706 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.3 -5.23 84.27 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.08 -0.808 . . . . 1.0 111.08 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.45 -55.31 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 1.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -101.26 12.17 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.597 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 18' ' ' ALA . 77.9 t -118.92 133.68 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.813 0.34 . . . . 1.0 110.185 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.15 129.1 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.86 140.04 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.668 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.451 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.4 p -140.29 161.37 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.676 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.418 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -58.53 -24.6 61.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.417 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 50.8 t0 -87.89 -19.13 27.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.549 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB3' ' H ' ' A' ' 26' ' ' THR . 12.9 t -71.66 138.67 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.61 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 97.6 mt-10 -87.83 166.3 14.68 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 120.958 0.409 . . . . 1.0 110.754 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.47 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 63.5 m-85 -71.54 -36.73 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.972 0.415 . . . . 1.0 110.719 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 m -65.51 -42.97 91.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.264 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -62.94 -20.83 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.63 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 34' ' ' LEU . 60.2 mt -82.41 -6.38 59.25 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.268 -179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.72 9.37 52.78 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -63.27 145.15 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 1.0 110.37 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.554 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 99.7 m-20 -142.64 -177.1 5.13 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.681 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.08 -43.9 95.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -70.18 -32.52 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.714 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.554 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 7.3 m-20 -84.24 -49.01 9.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.977 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 37' ' ' ASP . 8.1 p -45.87 -44.33 14.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.042 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 43' ' ' GLU . 11.8 p -63.45 -38.37 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.46 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.473 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.2 mt-10 -66.71 -36.34 82.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.886 0.374 . . . . 1.0 110.589 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.82 -44.42 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.441 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.73 -46.48 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.25 -41.43 98.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-80 -66.4 -50.38 63.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.925 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.42 -43.87 93.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.754 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.3 -39.06 78.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -73.8 -33.16 64.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.687 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.63 -42.81 86.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.508 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.14 -1.89 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.538 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.12 50.24 65.86 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 111.145 -0.782 . . . . 1.0 111.145 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.5 pt -125.1 -168.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.397 . . . . 1.0 110.489 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 10.6 p30 -148.77 115.57 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.4 t -128.68 129.96 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.431 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.7 t0 -78.1 142.35 38.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 99.2 mt-10 -58.35 -35.34 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -65.12 -34.91 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.99 -15.24 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.565 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.77 11.72 23.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.511 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.429 ' C ' ' H ' ' A' ' 64' ' ' ILE . 95.7 mm-40 -69.66 -40.37 76.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.811 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 57.2 t0 -63.36 -1.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.449 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.429 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.7 mm -81.4 127.17 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.521 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 p -127.96 -39.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.502 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -127.38 174.51 8.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.47 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 43.6 mm -58.85 -47.8 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.518 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.48 ' OE1' HD11 ' A' ' 6' ' ' ILE . 7.6 mm100 -51.1 -40.03 57.5 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.18 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.279 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.47 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.709 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.718 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.58 -44.37 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.775 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.55 -44.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.764 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.51 -54.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.074 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -65.5 -32.69 74.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.423 . . . . 1.0 110.568 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.87 -27.6 64.64 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -78.01 -42.03 33.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -62.65 -40.26 96.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.527 -179.533 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.99 -34.15 69.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.576 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.26 -45.4 94.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.599 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 78' ' ' LEU . 53.9 pttt -98.29 150.44 21.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.698 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' OXT' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.64 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 161.99 32.09 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.117 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.42 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -60.16 -31.98 70.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.653 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -65.0 -49.38 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.531 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.0 m -60.97 -42.06 97.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.829 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.514 HD11 ' OE1' ' A' ' 68' ' ' GLN . 96.3 mt -59.22 -40.89 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.966 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.72 -42.53 97.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.565 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -62.58 -48.08 81.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.981 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.0 t -64.07 -46.81 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.051 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.56 -39.81 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.596 -0.274 . . . . 1.0 110.675 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.76 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.492 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -69.17 -43.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.01 0.433 . . . . 1.0 110.42 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 9' ' ' VAL . 71.4 t -64.02 -49.01 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.619 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -65.62 -32.67 74.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.099 0.476 . . . . 1.0 110.361 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' ALA . 51.5 tp10 -69.24 -42.33 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.789 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -35.1 73.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.295 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 93.9 mt -85.95 -11.67 52.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.874 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.47 -174.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.347 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.7 mt -72.6 -23.36 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.877 0.37 . . . . 1.0 110.54 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.19 -17.24 52.85 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.703 -0.959 . . . . 1.0 110.703 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -50.53 60.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 1.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -96.18 1.9 52.64 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.42 132.43 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.148 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -118.57 131.37 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.4 t -116.62 136.17 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -133.19 165.86 23.81 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.78 -23.53 65.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.502 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.4 -20.22 26.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 m -69.71 140.12 53.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.362 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -98.8 143.7 28.85 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 73.1 m-85 -51.86 -40.91 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.852 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -61.21 -42.2 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 1.0 110.711 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -61.69 -38.19 86.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.76 -22.11 66.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.592 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 17.98 11.27 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 111.225 -0.75 . . . . 1.0 111.225 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.91 109.6 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 1.0 110.364 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -92.39 -168.55 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.543 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -61.81 -46.71 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.634 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.767 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.96 -44.74 91.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' C5 ' ' A' ' 102' ' ' DKA . 97.0 m -46.36 -38.76 9.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 1.0 110.737 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.941 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 95.8 mt-10 -63.68 -39.35 94.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.678 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.4 HG23 HG22 ' A' ' 13' ' ' VAL . 38.7 mm -64.55 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 1.0 110.95 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.42 -44.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.367 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.66 -44.71 96.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.724 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.7 m-80 -64.89 -44.57 89.19 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.784 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.65 -42.24 91.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.032 0.444 . . . . 1.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.23 -39.77 87.87 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -73.86 -39.46 63.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -70.54 -44.03 68.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.719 -0.393 . . . . 1.0 110.882 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -88.44 -6.83 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.324 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.02 49.58 70.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.1 pt -127.59 162.63 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.838 0.352 . . . . 1.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -132.61 115.67 15.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.283 179.614 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.11 145.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.262 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.41 148.41 31.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -65.11 -37.27 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.5 p30 -50.38 -32.24 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.426 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.6 mttp -88.23 -13.28 41.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.343 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLU . . . -94.19 3.8 54.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.019 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -68.5 -37.75 80.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.864 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.63 -4.91 4.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.602 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 73' ' ' VAL . 46.3 mm -79.48 127.78 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 53.7 p -126.61 -36.63 2.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.596 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.0 p -125.23 172.67 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.74 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 41.5 mm -60.85 -44.02 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.372 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.514 ' OE1' HD11 ' A' ' 6' ' ' ILE . 2.4 mm100 -54.37 -45.01 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.284 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 81.8 mt-30 -59.31 -40.93 87.81 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.999 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -42.03 84.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.355 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 64' ' ' ILE . 73.3 t -70.26 -44.53 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.506 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.41 -60.47 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.115 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -48.93 -36.63 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.843 0.354 . . . . 1.0 110.663 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.93 -37.92 94.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' LYS . 87.5 mt -65.45 -39.6 92.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 1.0 110.849 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? -60.94 -28.03 68.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.489 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.67 -44.16 74.63 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.514 -0.475 . . . . 1.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 82' ' ' ALA . 6.8 ptmm? -93.68 -35.44 12.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.965 0.412 . . . . 1.0 111.33 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 78' ' ' LEU . 60.2 mttp 58.26 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.476 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 80' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.034 -0.984 . . . . 1.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' DKA . . . . . 0.453 ' C5 ' HG23 ' A' ' 41' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 139.99 30.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.423 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -46.35 -21.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.445 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -70.22 -45.64 66.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.2 m -64.51 -33.88 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.614 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.5 mm -61.36 -41.25 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.439 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.64 -41.13 97.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.66 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -58.15 -52.64 64.7 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.925 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.8 t -65.41 -45.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.404 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -60.22 -41.8 93.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.811 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.05 -46.2 90.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 1.0 110.592 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.34 -42.09 81.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.72 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 9' ' ' VAL . 61.7 t -64.09 -53.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.479 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.47 -32.86 73.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.937 0.399 . . . . 1.0 110.527 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.0 tt0 -70.06 -39.92 75.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.885 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -69.62 -36.86 76.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.548 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.63 -12.21 51.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.022 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.91 -171.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.351 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.586 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.0 mp -78.69 -23.49 45.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.78 -15.8 60.81 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.0 110.919 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -96.63 3.32 52.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.781 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.23 134.27 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 1.0 110.28 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 24' ' ' VAL . 12.8 p -116.87 128.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.157 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 p -117.26 146.07 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.384 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.2 p -139.13 158.95 43.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.461 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -56.24 -28.01 57.0 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.113 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 46.6 t0 -88.82 -11.02 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.677 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HB3' ' H ' ' A' ' 26' ' ' THR . 57.2 p -66.75 143.32 57.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.366 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.37 144.01 28.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.261 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 68.3 m-85 -57.15 -37.48 72.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.664 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.99 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.72 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -62.84 -39.89 95.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.3 mt -66.05 -20.43 66.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.78 6.17 37.98 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 108.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 1.0 110.437 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.593 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.0 t0 -101.25 -169.69 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.43 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.593 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.67 -44.92 96.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.397 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.87 -37.3 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.405 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 98.8 m-20 -82.33 -49.15 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.075 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 37' ' ' ASP . 52.7 m -45.92 -45.3 15.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.459 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 43' ' ' GLU . 12.8 p -63.51 -36.02 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.802 -0.359 . . . . 1.0 110.421 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 42' ' ' VAL . 80.6 mm-40 -68.27 -34.22 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.584 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -60.72 -49.31 85.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.675 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.57 -44.2 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.967 0.413 . . . . 1.0 110.747 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.6 ttm -55.23 -48.41 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.856 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.17 -44.19 92.84 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.949 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.01 -42.29 97.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.381 . . . . 1.0 110.704 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.85 -39.89 82.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -74.21 -36.12 63.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -66.36 -47.37 73.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -96.1 -2.76 45.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.588 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.31 45.52 82.88 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.4 pt -112.01 -170.93 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.868 0.366 . . . . 1.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -156.51 113.24 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.8 p -141.58 141.62 29.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.422 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -78.77 146.6 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.559 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.37 -33.72 76.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.592 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -51.49 -41.91 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.426 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.93 -13.38 59.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.24 6.03 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.685 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -67.6 -37.65 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 30.4 p-10 -64.95 -6.64 8.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.812 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 73' ' ' VAL . 47.8 mm -76.94 127.7 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.325 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -124.37 -38.28 2.44 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.547 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -131.48 177.51 7.44 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.86 0.362 . . . . 1.0 110.398 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.517 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.1 mm -59.75 -46.69 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.346 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.443 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 4.6 mm-40 -53.66 -41.24 66.62 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.42 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -59.44 -44.06 92.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.347 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.81 84.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 64.0 t0 -61.83 -39.84 93.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.664 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.494 HG21 HD11 ' A' ' 64' ' ' ILE . 75.5 t -75.33 -46.38 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.873 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.86 -53.12 50.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.312 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -56.99 -32.78 66.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.696 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.99 91.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.66 -42.34 91.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 1.0 110.933 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.93 -39.51 94.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.733 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.66 -33.78 76.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.247 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 81' ' ' LYS . 88.9 tttt -67.29 -76.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.808 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' LYS . 62.9 mttm 43.92 -169.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.719 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.937 -1.03 . . . . 1.0 110.484 -179.894 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.9 170.78 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 1.0 109.981 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -66.91 -25.61 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.596 179.548 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.5 -47.46 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.503 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.534 HG21 ' OE2' ' A' ' 75' ' ' GLU . 13.3 m -60.36 -41.11 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.7 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.519 HD11 ' OE1' ' A' ' 68' ' ' GLN . 96.4 mt -59.87 -41.77 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.923 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -61.2 -46.12 91.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -59.51 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.639 -0.424 . . . . 1.0 111.178 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 13' ' ' VAL . 65.6 t -64.43 -44.96 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.048 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 p -65.75 -39.33 90.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.61 -45.76 90.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.27 0.557 . . . . 1.0 110.61 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -71.77 -42.94 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.618 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 9' ' ' VAL . 53.3 t -62.52 -57.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.917 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 16.7 ptmt -52.98 -38.88 62.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.179 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 95.0 mt-10 -70.68 -33.24 70.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -36.73 76.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.544 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -92.49 -10.6 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.921 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -173.8 -161.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.366 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.0 mp -85.98 -22.76 27.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.48 34.37 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.63 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 1.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 23.1 p-10 -93.27 6.35 48.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.76 134.74 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.191 0.52 . . . . 1.0 110.064 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.4 p -109.11 127.88 65.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.047 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -117.29 136.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.643 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -140.64 158.3 44.18 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 -26.35 58.17 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -85.76 -12.86 49.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 p -77.81 139.1 39.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.504 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 97.7 mt-10 -89.55 166.19 13.81 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.149 0.499 . . . . 1.0 110.707 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 59.4 m-85 -72.73 -40.58 65.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.114 0.483 . . . . 1.0 110.754 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -64.42 -44.74 90.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.967 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HG2' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -59.21 -21.51 59.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.506 -179.271 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.95 -7.89 59.62 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.371 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 6.38 56.97 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.42 108.17 0.24 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.883 0.373 . . . . 1.0 110.489 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 91.3 m-20 -94.98 -176.39 3.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.459 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -64.99 -38.81 92.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.571 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.4 mp -75.54 -21.5 57.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.564 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 92.7 m-20 -83.71 -50.2 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.883 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.3 m -45.93 -42.65 13.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.587 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.65 -37.28 79.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.227 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.57 -37.69 82.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.589 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 13' ' ' VAL . 47.4 mm -62.78 -48.28 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.775 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.69 -44.83 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.8 ttp -60.61 -44.98 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.408 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -66.03 -47.42 74.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.231 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.664 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.93 -37.32 79.16 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.54 -0.464 . . . . 1.0 110.716 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.58 -37.17 63.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.804 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -67.14 -50.83 59.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -87.97 -2.95 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.491 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.44 53.0 30.33 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.073 -0.811 . . . . 1.0 111.073 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.0 pt -120.13 -168.15 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 120.973 0.416 . . . . 1.0 110.667 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 7.8 p30 -156.4 108.87 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.404 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -133.07 139.66 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.627 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 58.4 t0 -74.08 147.57 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 56.7 mp0 -66.19 -32.69 74.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.653 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 22.1 m-20 -63.94 -40.1 95.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.1 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' C ' ' H ' ' A' ' 62' ' ' GLN . 68.6 mttm -67.35 -41.45 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 17.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.01 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.444 ' H ' ' C ' ' A' ' 60' ' ' LYS . 69.5 mm-40 -70.66 -39.7 73.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.872 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -63.63 -2.78 1.83 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.572 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 73' ' ' VAL . 48.8 mm -79.87 127.03 39.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 1.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.493 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 1.4 m -134.32 -18.77 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.27 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.53 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 33.6 p -137.54 168.87 18.8 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.637 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.508 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 42.5 mm -60.8 -44.87 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.504 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' OE1' HD11 ' A' ' 6' ' ' ILE . 3.3 mm100 -54.83 -45.4 74.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.354 -0.538 . . . . 1.0 110.547 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' A' ' 66' ' ' THR . 83.4 mt-30 -58.36 -43.61 88.44 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.116 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.04 97.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.52 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.44 81.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.84 -48.45 81.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.085 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 64' ' ' ILE . 61.1 t -61.68 -45.47 98.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -60.93 -51.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.361 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.534 ' OE2' HG21 ' A' ' 5' ' ' THR . 65.6 mm-40 -48.39 -37.14 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 1.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.74 97.22 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -41.36 96.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 1.0 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.3 mm? -61.68 -40.44 95.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.352 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.29 -34.66 78.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.578 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -63.16 -28.95 70.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.653 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -60.04 -42.4 94.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.371 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.024 -0.988 . . . . 1.0 110.37 179.822 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.544 ' N36' H313 ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -77.73 144.3 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.146 0.498 . . . . 1.0 109.925 179.808 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -18.11 0.29 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.083 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' LYS . 85.4 mt-10 -73.59 -49.05 28.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.69 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.9 m -60.99 -42.36 98.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.611 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.49 -41.58 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.256 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -43.07 95.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.723 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -62.26 -48.44 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.103 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 t -65.46 -46.75 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.258 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 m -59.09 -40.94 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.595 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -61.56 -43.78 98.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.633 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.1 -42.7 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.035 0.445 . . . . 1.0 110.613 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 9' ' ' VAL . 96.7 t -65.11 -50.22 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.745 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -64.87 -37.28 87.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.772 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 18' ' ' ALA . 64.1 mm-40 -70.26 -36.17 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.937 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -72.03 -35.12 69.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.397 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -93.02 -6.1 49.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.054 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.23 -169.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.457 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.81 -19.62 30.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.532 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.06 -13.62 56.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 1.0 110.737 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -48.75 70.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 1.0 110.708 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 52.3 t0 -106.95 10.83 30.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.622 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -124.8 133.39 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.0 t -121.5 131.02 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.949 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -116.66 133.53 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.111 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -130.68 166.16 21.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.434 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -25.65 63.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.538 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 33.0 t0 -88.35 -8.23 55.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.773 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -76.89 134.66 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.544 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -93.43 141.66 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.019 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.11 -40.93 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.531 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.9 m -60.47 -41.65 94.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.843 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.12 -39.77 83.35 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.708 0.29 . . . . 1.0 110.54 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.57 -16.52 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.365 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.25 3.83 47.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 109.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 1.0 110.381 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 92.6 m-20 -88.97 -175.31 4.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.548 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.91 -49.27 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.539 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.85 -42.14 95.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.679 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 72.7 m-20 -63.3 -44.32 95.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.498 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.0 m -46.09 -39.72 9.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.865 0.364 . . . . 1.0 110.634 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.43 -43.79 94.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.303 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.31 -37.98 85.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.57 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.11 -48.92 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.66 -42.77 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.432 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -56.78 -47.54 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.873 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -65.01 -43.19 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.649 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.05 -43.84 94.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 1.0 110.627 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.09 -37.45 77.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.98 -38.48 61.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.985 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' OE1' ' CD2' ' A' ' 52' ' ' PHE . 14.4 tm-20 -67.16 -44.92 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.005 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.429 ' CD2' ' OE1' ' A' ' 51' ' ' GLU . 94.9 m-85 -94.72 -4.24 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.586 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.67 51.17 58.4 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.031 -0.827 . . . . 1.0 111.031 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.6 pt -126.87 -167.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 1.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -146.98 118.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.144 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.91 128.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.411 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -83.16 152.27 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -63.31 -27.88 69.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.365 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.16 -39.53 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' CD ' ' N ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -77.95 -14.09 59.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.3 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.605 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -68.5 -52.14 35.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.979 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 64' ' ' ILE . 37.1 p-10 -63.91 -28.69 70.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.736 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 73' ' ' VAL . 50.3 mm -58.8 124.5 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.403 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.432 ' HB2' HE22 ' A' ' 69' ' ' GLN . 67.1 m -134.09 -18.27 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.41 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 p -135.01 167.59 20.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mm -60.92 -43.76 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -44.98 79.25 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.421 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.432 HE22 ' HB2' ' A' ' 65' ' ' SER . 78.6 mt-30 -58.03 -41.07 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.007 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.1 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.65 -37.1 81.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.686 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.73 -44.4 96.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 64' ' ' ILE . 71.0 t -69.9 -43.4 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.389 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.38 -60.42 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.164 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.69 -30.73 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.878 0.37 . . . . 1.0 110.669 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.99 -40.78 95.4 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.63 -41.57 98.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.696 0.284 . . . . 1.0 110.63 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.487 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.2 mm? -60.97 -41.93 97.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.426 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -68.68 -36.32 78.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.635 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.17 -44.61 97.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.673 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -88.72 176.1 7.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.412 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.807 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.504 H311 ' N36' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.401 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.25 170.47 12.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.295 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' CD ' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -64.45 -27.9 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.523 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.31 -48.15 74.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.1 m -63.1 -44.09 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.652 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -56.55 -36.46 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.121 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.43 -42.69 98.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -62.23 -53.91 48.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.988 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 13' ' ' VAL . 71.5 t -64.33 -47.28 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.691 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.7 p -61.53 -38.66 88.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.675 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.56 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.499 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.75 -42.32 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.139 0.495 . . . . 1.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 9' ' ' VAL . 68.8 t -60.72 -53.86 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.845 -0.616 . . . . 1.0 112.011 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -63.95 -32.71 74.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.794 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.8 mt-10 -67.64 -36.69 81.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.596 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -74.84 -32.62 61.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 1.0 111.217 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -95.6 -3.5 46.25 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.068 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.27 -172.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.74 -24.19 53.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 4.06 88.69 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.064 -0.814 . . . . 1.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.7 -62.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 1.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -86.05 13.99 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.672 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -119.41 132.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.993 0.425 . . . . 1.0 110.528 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 24' ' ' VAL . 14.6 p -101.48 127.61 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 1.0 110.381 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.28 137.0 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.832 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -141.47 159.49 42.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.785 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -57.05 -30.01 63.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.298 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -80.67 -8.59 59.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 m -71.7 132.34 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.605 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -93.76 147.79 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.458 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.625 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -61.27 -41.65 97.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.68 -39.06 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 34' ' ' LEU . 95.5 mt -65.98 -10.22 37.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.516 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.3 5.78 55.75 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 109.14 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 1.0 110.607 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -89.4 -175.11 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.361 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.01 -47.21 86.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.475 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.11 -42.55 89.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.495 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.51 -45.72 89.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -46.62 -38.08 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.352 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.15 -43.0 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.515 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.94 -36.78 85.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.022 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.21 -51.98 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.231 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.89 -35.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.046 0.451 . . . . 1.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 tpp -61.82 -46.36 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.627 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -67.03 -43.14 83.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.84 -42.76 97.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.482 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -61.06 -38.46 86.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.416 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.08 -36.73 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.057 0.456 . . . . 1.0 111.188 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.16 -49.05 75.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.982 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -94.4 -6.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.38 39.48 97.82 Favored Glycine 0 C--N 1.33 0.242 0 N-CA-C 111.331 -0.708 . . . . 1.0 111.331 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 pt -108.17 -168.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.872 0.368 . . . . 1.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -149.02 125.75 11.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.26 133.18 52.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.7 t0 -77.18 152.83 34.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.435 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.4 tm-20 -65.76 -35.88 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.481 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.22 -40.2 96.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.611 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.6 mttp -67.58 -35.52 79.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.05 0.452 . . . . 1.0 111.045 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.84 8.53 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.918 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.433 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 91.7 mm-40 -71.91 -39.92 69.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -72.04 -0.37 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.535 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.3 mm -88.67 125.12 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 5.7 t -132.88 -22.95 2.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.429 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.459 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 73.6 p -131.05 169.14 16.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.49 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.71 -44.56 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.405 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -54.2 -46.8 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.442 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 65' ' ' SER . 83.7 mt-30 -57.01 -44.71 83.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.131 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.51 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.181 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.19 -35.13 73.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.696 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.37 -39.25 89.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.402 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 82.6 t -76.07 -45.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.152 0.501 . . . . 1.0 111.199 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.6 -54.11 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.786 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.9 pp20? -49.43 -36.17 21.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.615 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.55 -42.86 99.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.092 -0.803 . . . . 1.0 111.092 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.97 -39.65 93.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 1.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp -60.78 -40.06 91.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.551 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -56.49 -32.73 65.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.664 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -64.88 -32.35 74.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.062 0.458 . . . . 1.0 110.909 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -44.06 -45.39 8.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.714 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.121 -0.943 . . . . 1.0 110.623 -179.843 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.451 ' C34' ' O27' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.592 ' HZ1' ' HB2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -132.8 161.63 33.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.173 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.575 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -57.62 -27.72 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.434 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -67.48 -51.73 47.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.57 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.517 ' CB ' ' HZ3' ' A' ' 2' ' ' LYS . 80.0 m -61.83 -36.37 80.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.783 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 3' ' ' LYS . 94.0 mt -60.68 -41.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.303 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -41.95 99.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -61.72 -49.95 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.166 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.4 t -65.52 -45.92 91.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -50.04 75.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.872 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 40.8 t0 -48.86 -47.02 43.16 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.482 0.488 . . . . 1.0 110.896 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.89 -42.25 85.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.956 0.408 . . . . 1.0 110.706 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 9' ' ' VAL . 73.0 t -62.87 -49.97 81.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.4 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -68.51 -31.69 71.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.914 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' ALA . 67.5 mt-10 -67.7 -39.96 84.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 1.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -33.0 60.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.001 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 88.1 mt -92.99 -0.93 57.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.819 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.58 -172.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.51 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.93 -25.33 62.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.44 -23.43 25.0 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.05 -32.15 16.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.841 0.353 . . . . 1.0 110.756 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.77 2.76 56.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.723 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.73 150.47 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.8 p -134.4 120.7 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.397 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.31 150.97 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.137 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 28' ' ' ASP . 2.0 p -136.04 166.08 24.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.02 -12.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.366 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 26' ' ' THR . 43.5 t0 -100.6 -9.64 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.686 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -73.76 127.71 33.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.579 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -89.34 141.8 28.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 76.0 m-85 -56.61 -41.27 76.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -59.0 -41.46 87.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.0 -17.32 64.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.504 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.65 8.28 43.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.061 -0.815 . . . . 1.0 111.061 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 108.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 1.0 110.545 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 85.0 m-20 -93.72 -176.59 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.541 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.07 -47.5 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.509 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.9 mt -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.479 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 99.2 m-20 -76.0 -46.88 27.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -44.88 -45.34 10.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.84 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.46 -32.73 51.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.391 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 21.3 tp10 -67.95 -35.14 77.89 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 40' ' ' ASP . 45.5 mm -61.96 -46.96 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.78 -42.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 tpp -56.57 -47.74 78.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.76 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -63.87 -43.18 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.73 -43.2 89.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.927 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' GLY . 91.1 mt-10 -58.93 -41.74 88.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -73.54 -35.33 65.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.842 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.8 -46.17 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.834 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -98.93 -4.68 32.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 1.0 110.651 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 61.38 48.62 84.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.096 -0.802 . . . . 1.0 111.096 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 pt -123.27 162.29 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.297 -0.26 . . . . 1.0 110.297 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -119.86 114.99 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.42 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.91 131.32 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.4 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.86 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.384 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.88 -27.94 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.72 -39.43 94.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.74 -13.41 54.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.41 7.2 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.651 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.666 HE22 ' C39' ' A' ' 101' ' ' PNS . 29.5 mm100 -70.09 -41.9 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.853 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.46 1.36 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.4 mm -84.95 130.31 36.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.632 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -129.85 -37.66 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 p -130.04 177.28 7.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.879 0.371 . . . . 1.0 110.4 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.489 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 48.1 mm -59.53 -44.72 93.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.602 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.41 ' OE1' HD11 ' A' ' 6' ' ' ILE . 2.1 mm100 -56.1 -44.0 78.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.516 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -56.15 -45.05 79.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.268 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.06 90.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.36 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.77 -39.88 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.6 t -76.34 -45.89 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.07 -52.6 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.592 ' HB2' ' HZ1' ' A' ' 2' ' ' LYS . 1.5 pp20? -56.27 -34.6 66.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.08 99.31 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.7 -40.17 92.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.329 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.22 -39.08 88.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.34 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.96 -38.72 79.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.98 -39.14 93.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.742 0.306 . . . . 1.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -52.28 171.79 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.393 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.046 -0.978 . . . . 1.0 110.645 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.666 ' C39' HE22 ' A' ' 62' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.447 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -82.49 175.52 10.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.205 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -69.07 -26.43 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.821 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.82 -48.32 59.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.834 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 m -61.11 -44.54 97.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -56.41 -38.99 58.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.383 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.537 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -61.83 -50.23 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.932 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.1 t -67.49 -46.29 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.554 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.47 -44.4 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.18 -42.82 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.952 0.406 . . . . 1.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.5 t -65.89 -51.04 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.248 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.01 -31.71 72.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.584 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 18' ' ' ALA . 12.0 tm-20 -69.87 -40.84 75.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.66 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -35.24 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.426 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 86.8 mt -86.37 -7.73 58.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.053 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . 175.42 -177.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.485 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.37 -24.36 62.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.659 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.63 -13.65 63.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -50.16 44.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 1.0 110.7 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.5 3.38 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.635 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.423 HG21 ' CB ' ' A' ' 18' ' ' ALA . 77.6 t -118.57 132.01 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.324 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.97 129.94 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.429 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -116.6 136.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.193 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.74 167.07 17.0 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.693 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.2 -22.14 66.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.594 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 52.6 t0 -92.19 -7.55 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.685 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 m -77.75 135.23 37.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.603 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -89.55 142.14 27.94 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -53.77 -40.7 66.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.686 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -62.36 -38.62 90.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -38.19 88.28 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.56 -20.58 66.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 1.0 109.594 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.65 6.82 32.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.31 109.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 1.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 99.3 m-20 -88.0 -176.3 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.94 -49.48 77.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.546 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 12.6 m-20 -65.14 -44.71 87.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.394 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.3 m -46.17 -39.43 9.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.803 0.335 . . . . 1.0 110.537 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.54 -42.47 93.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 81.0 mm-40 -61.5 -39.55 91.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.448 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.58 -47.75 91.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.595 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.9 -43.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.971 0.415 . . . . 1.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 tpp -60.36 -45.6 92.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.891 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.6 m-80 -64.79 -47.37 78.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.799 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.47 -44.18 95.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.85 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.42 -36.94 85.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.907 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -76.21 -37.28 57.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.67 -43.42 69.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.721 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -94.18 -5.9 46.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.9 49.59 65.79 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 pt -121.99 161.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 1.0 110.489 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -124.59 122.74 38.41 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.429 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.43 141.32 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.42 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.96 147.26 41.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.788 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.3 -34.69 78.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -62.03 -39.93 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.0 mtpm? -66.74 -41.84 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.75 23.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.874 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 60' ' ' LYS . 80.2 mm-40 -79.28 -35.3 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.614 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.61 -0.98 4.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.37 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 73' ' ' VAL . 48.0 mm -77.15 125.69 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 m -124.52 -36.93 2.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 p -128.74 174.93 9.01 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.92 0.39 . . . . 1.0 110.476 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.92 -43.65 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.752 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -40.63 79.24 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.63 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -57.82 -44.17 86.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.063 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.34 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.488 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.2 89.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.01 -41.17 99.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.533 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 64' ' ' ILE . 91.9 t -71.54 -43.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.747 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.91 -59.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.212 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -48.21 -32.34 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.502 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.62 90.42 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.72 -39.11 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.854 0.359 . . . . 1.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.2 mm? -60.5 -45.58 93.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.043 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 81' ' ' LYS . 10.0 pt-20 -69.81 -42.3 73.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.008 0.432 . . . . 1.0 110.803 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -49.05 -11.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.635 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 79' ' ' GLU . 99.5 mttt -73.93 142.24 45.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.6 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.056 -0.973 . . . . 1.0 110.53 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.446 ' O27' ' C34' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.631 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -69.63 161.72 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.158 0.504 . . . . 1.0 110.035 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.76 -15.11 57.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.637 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 81.7 tt0 -76.75 -46.71 24.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.553 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -60.85 -42.16 97.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.704 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.94 -38.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.501 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -63.51 -38.03 89.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.479 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -64.76 -50.04 68.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.235 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 13' ' ' VAL . 57.4 t -65.84 -45.04 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.482 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -61.1 -38.83 87.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.699 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.644 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.1 mt -71.72 -42.39 70.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.701 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 9' ' ' VAL . 75.2 t -64.77 -51.92 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.198 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.03 -33.44 75.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 1.0 110.682 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 79.3 tt0 -70.56 -39.34 74.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.776 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.02 -35.68 72.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.49 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.95 -8.73 53.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.97 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.61 -171.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.488 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.4 mp -79.21 -22.85 44.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.403 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.14 -0.86 82.17 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.68 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.717 0.294 . . . . 1.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -97.22 9.69 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG21 ' CB ' ' A' ' 18' ' ' ALA . 69.8 t -119.87 133.8 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.135 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 24' ' ' VAL . 13.9 p -112.05 126.83 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.205 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.7 140.0 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -140.8 161.27 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.672 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -23.69 64.01 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.391 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.8 -16.59 31.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.713 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 m -71.76 137.01 47.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.493 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.07 151.62 21.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 56.6 m-85 -58.8 -41.44 86.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -62.04 -40.5 95.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -58.88 -39.81 82.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.796 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.91 -21.56 65.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.634 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.01 -9.96 22.94 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 109.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 1.0 110.433 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.07 -175.09 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.408 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.93 -41.86 92.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' O ' HG12 ' A' ' 42' ' ' VAL . 52.9 mt -65.22 -38.87 91.75 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.527 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.92 -37.45 29.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.539 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.5 m -45.73 -43.6 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.723 0.296 . . . . 1.0 111.007 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 39' ' ' LEU . 8.7 p -66.06 -35.29 74.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.53 -39.17 81.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.773 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -59.84 -51.08 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.945 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.23 -36.71 77.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.614 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.4 tpp -60.85 -48.04 83.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.708 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -65.16 -42.54 93.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.672 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.98 -44.69 91.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 1.0 110.931 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.68 -37.07 82.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.648 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.4 -37.14 60.67 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.935 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -66.77 -45.15 79.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.999 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -96.36 -3.54 43.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.42 50.0 61.98 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 HD12 ' A' ' 77' ' ' LEU . 43.3 pt -121.37 178.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 120.881 0.372 . . . . 1.0 110.486 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -142.65 125.59 16.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.479 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.17 139.03 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.426 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -77.13 145.76 37.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.454 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -66.14 -35.13 79.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.438 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -62.9 -34.95 78.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -81.52 -15.08 56.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.573 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.29 15.12 20.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.731 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.17 -38.4 78.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.797 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 35.4 p-10 -63.54 -7.79 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.697 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 73' ' ' VAL . 46.2 mm -75.55 127.22 36.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.456 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 17.1 m -138.76 -19.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 p -137.73 172.63 12.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.931 0.396 . . . . 1.0 110.472 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.497 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 40.4 mm -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.484 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -55.24 -46.51 76.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.466 -0.493 . . . . 1.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -59.69 -42.92 94.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.06 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.64 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.499 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.74 73.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.897 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.532 0.52 . . . . 1.0 111.022 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 64' ' ' ILE . 79.0 t -69.07 -42.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.623 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 54' ' ' ILE . 55.8 mt -59.09 -55.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.141 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.61 -29.4 17.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 1.0 110.836 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.03 95.04 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.599 HD12 HD12 ' A' ' 54' ' ' ILE . 95.4 mt -66.23 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.628 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.505 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.1 mm? -61.22 -40.12 92.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.32 -32.73 72.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.459 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -138.39 65.66 1.46 Allowed 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.106 0.479 . . . . 1.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -58.33 141.36 51.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.523 -179.754 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.237 -0.653 . . . . 1.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.428 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -82.34 156.93 23.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.743 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -59.21 -21.58 59.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.493 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.86 -44.72 65.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.473 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.9 m -63.31 -44.42 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.75 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.458 HD11 ' OE1' ' A' ' 68' ' ' GLN . 59.0 mt -56.59 -38.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.443 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.37 -40.57 96.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -61.6 -50.26 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.02 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.3 t -65.5 -46.19 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.445 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.6 p -59.21 -40.95 87.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.63 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.37 -46.39 90.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.484 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.11 -43.05 85.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.414 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 9' ' ' VAL . 68.8 t -64.92 -51.68 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.767 -178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -62.54 -36.78 83.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.943 0.402 . . . . 1.0 110.33 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.8 mt-10 -70.26 -38.94 75.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HZ1' ' HB3' ' A' ' 43' ' ' GLU . 18.5 mmmt -69.24 -36.44 77.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.486 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -88.44 -9.79 51.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.173 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 180.0 -170.65 0.15 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.92 -0.312 . . . . 1.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.8 mt -74.4 -23.79 59.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.03 53.09 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.13 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 1.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -97.05 4.34 51.44 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.566 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.61 133.74 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.317 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.9 t -117.86 131.02 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.959 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.46 133.9 61.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.892 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 162.99 26.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.235 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.34 66.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.467 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -88.14 -19.91 26.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.709 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.548 ' OG ' HD21 ' A' ' 34' ' ' LEU . 12.2 t -70.79 136.67 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 1.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -94.72 143.41 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.206 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 78.2 m-85 -50.73 -33.68 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.701 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.28 -45.48 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.896 -0.322 . . . . 1.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.25 -35.28 79.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.62 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 ' OG ' ' A' ' 29' ' ' SER . 54.8 mt -65.48 -20.03 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.428 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.65 0.41 52.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.59 108.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.402 . . . . 1.0 110.449 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -92.74 -166.07 1.46 Allowed 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.287 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -69.0 -40.24 78.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.174 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.1 mm? -66.09 -38.8 89.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.45 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.7 m-20 -77.68 -44.86 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.772 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.8 m -46.0 -41.57 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.026 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -70.34 -32.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.32 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 96.0 mt-10 -70.48 -37.18 74.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.771 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.33 -51.03 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.962 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 46' ' ' MET . 7.5 p -65.98 -40.71 88.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.507 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.436 ' N ' HG13 ' A' ' 45' ' ' VAL . 53.0 ttm -55.97 -48.51 75.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.408 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.08 -42.69 93.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.696 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.69 -41.94 95.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 1.0 110.581 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLY . 93.3 mt-10 -60.12 -42.25 94.36 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -74.26 -39.28 63.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.992 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.8 tm-20 -67.86 -42.32 81.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.94 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 73.6 m-85 -95.84 -7.24 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.522 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 60.27 47.31 91.73 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.43 163.42 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.649 0.262 . . . . 1.0 110.423 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -120.39 112.61 19.21 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.401 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.84 132.89 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.867 0.365 . . . . 1.0 110.023 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -82.27 150.68 27.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.283 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.35 -33.6 76.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 48.4 p-10 -62.9 -35.51 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.97 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.6 mptt -81.79 -14.36 56.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.861 0.362 . . . . 1.0 110.11 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.93 7.88 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -68.41 -38.15 81.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.902 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 27.3 p-10 -65.08 -6.76 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.38 125.29 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.449 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.3 p -120.44 -44.29 2.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.397 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.6 p -127.53 176.81 7.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.799 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.507 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 38.6 mm -58.97 -45.47 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.131 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.458 ' OE1' HD11 ' A' ' 6' ' ' ILE . 5.9 mm100 -53.68 -41.68 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.571 -0.451 . . . . 1.0 110.108 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -59.27 -45.08 92.2 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.229 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.21 -41.72 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.489 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.72 -36.28 82.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.749 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.29 -39.44 92.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.37 -45.29 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.81 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.52 -56.8 14.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.184 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.457 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.22 -33.23 8.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.18 97.59 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.2 mt -64.13 -42.53 96.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 1.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? -62.53 -42.43 99.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.538 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -66.28 -38.87 88.81 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 81' ' ' LYS . 88.0 tttt -64.89 -72.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.661 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 80' ' ' LYS . 21.9 mmtp 42.22 -168.19 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.81 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.06 -0.971 . . . . 1.0 110.582 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PNS . . . . . 0.419 ' C34' ' O27' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.487 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -79.73 171.16 15.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.243 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.443 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -66.19 -29.64 69.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.73 -51.04 64.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.807 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -59.18 -41.04 87.51 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.878 0.37 . . . . 1.0 110.582 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.14 -41.69 90.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.223 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.46 -41.15 93.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.599 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -63.08 -47.79 81.38 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.981 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.7 t -65.45 -45.99 91.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.793 0.33 . . . . 1.0 110.201 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.5 p -61.85 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 1.0 110.525 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.13 -44.53 96.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.786 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.04 -44.01 81.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.161 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 9' ' ' VAL . 93.9 t -63.64 -55.63 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -53.71 -35.39 61.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.7 mm-40 -72.97 -39.25 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.903 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -67.41 -37.75 83.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.732 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.99 -12.36 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.479 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.47 -161.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 1.0 110.32 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.3 mp -80.93 -22.94 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.824 0.345 . . . . 1.0 110.276 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.97 -6.88 79.89 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.65 -42.43 14.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 1.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -101.65 11.91 38.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.3 t -123.47 133.29 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 1.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.26 126.19 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.055 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.89 137.96 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -138.23 163.17 32.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.482 ' HB1' ' HG2' ' A' ' 68' ' ' GLN . . . -64.75 -15.63 61.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.814 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -100.32 -7.95 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -76.56 129.17 36.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 110.828 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.21 147.3 29.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.617 . . . . 1.0 110.396 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 67' ' ' ILE . 57.1 m-85 -60.61 -42.44 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.735 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.7 m -59.79 -40.9 89.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.753 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.14 -37.47 85.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.964 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.02 -21.29 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.396 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.56 -2.21 34.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.308 -0.717 . . . . 1.0 111.308 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.86 108.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.054 0.454 . . . . 1.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 98.7 m-20 -92.05 -176.03 4.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.195 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.66 -45.28 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.651 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -66.44 -35.45 80.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 1.0 110.322 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 98.6 m-20 -80.06 -51.6 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -48.17 -43.84 31.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.829 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.86 -32.68 59.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 1.0 109.839 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.63 -33.74 71.33 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.317 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.8 -50.91 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.179 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.93 -34.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.32 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 tpp -60.0 -48.49 81.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.238 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -65.79 -42.35 90.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.021 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.11 -42.18 96.98 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.89 -39.61 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.016 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.56 -40.98 63.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.22 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -71.05 -41.77 70.32 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 1.0 110.915 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -90.39 -6.95 54.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.18 48.11 87.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.516 -0.634 . . . . 1.0 111.516 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.87 -174.22 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.905 0.383 . . . . 1.0 110.756 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -148.11 124.04 10.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.304 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.02 137.73 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.985 0.421 . . . . 1.0 110.531 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' H ' ' HE2' ' A' ' 60' ' ' LYS . 44.0 t0 -79.3 153.19 30.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.531 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.0 -34.59 78.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.581 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -60.29 -44.46 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.489 ' C ' ' H ' ' A' ' 62' ' ' GLN . 28.7 mtmm -66.12 -40.81 90.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.555 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.48 24.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.93 -32.84 40.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.718 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.38 -8.52 40.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.642 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 73' ' ' VAL . 32.3 mm -71.74 130.09 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.649 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -130.2 -30.64 1.94 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.489 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.9 p -128.68 174.87 9.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.003 0.43 . . . . 1.0 110.362 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 31' ' ' PHE . 6.8 mm -61.51 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.915 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.661 ' C ' HE21 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -64.55 -33.09 75.11 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.126 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.588 ' N ' ' NE2' ' A' ' 68' ' ' GLN . 44.6 mm-40 -53.23 -45.91 68.92 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 119.844 -0.743 . . . . 1.0 109.128 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.7 81.76 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.946 -0.761 . . . . 1.0 108.946 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.93 82.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.287 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.9 -42.68 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.781 0.324 . . . . 1.0 111.162 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 64' ' ' ILE . 80.3 t -63.55 -43.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.596 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.0 -46.7 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.613 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.89 -36.52 65.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.975 0.417 . . . . 1.0 110.469 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.45 98.88 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.054 -0.818 . . . . 1.0 111.054 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -40.9 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.673 0.273 . . . . 1.0 110.645 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.076 -179.635 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.508 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.426 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.48 166.89 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.171 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.501 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.578 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.13 -43.3 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.585 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.9 m -61.25 -44.69 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.598 HD11 HE21 ' A' ' 68' ' ' GLN . 56.0 mt -61.94 -43.62 97.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.239 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -63.45 -51.6 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.184 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 87.4 t -64.6 -46.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.608 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -59.37 -42.83 92.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.85 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.95 -46.21 90.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.08 0.467 . . . . 1.0 110.953 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -43.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 9' ' ' VAL . 50.7 t -58.56 -55.07 25.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.376 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ALA . 2.2 pttm -64.15 -29.62 70.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 123.547 0.53 . . . . 1.0 110.487 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.1 tt0 -62.32 -39.7 93.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.244 0.545 . . . . 1.0 110.384 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 10.1 mtpp -75.29 -32.7 61.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.112 0.482 . . . . 1.0 110.61 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 mt -95.46 -6.73 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.79 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -174.25 -167.68 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.563 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.5 mm? -86.0 -23.5 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.8 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.86 7.64 86.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.11 -62.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 1.0 110.575 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -91.7 14.07 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.541 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -113.25 133.3 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 1.0 110.272 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.9 133.73 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.09 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.6 t -116.43 141.08 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.756 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -135.1 155.56 50.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.435 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -26.48 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.89 -7.05 57.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 p -72.71 134.95 45.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.939 0.4 . . . . 1.0 110.577 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -93.97 143.41 26.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.327 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 64.7 m-85 -55.06 -31.16 60.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.726 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -59.03 -46.06 89.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.763 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 10.8 mptt -63.36 -37.1 85.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.689 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.1 -18.36 65.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.406 0.441 . . . . 1.0 110.32 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.29 44.27 5.05 Favored Glycine 0 N--CA 1.461 0.33 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.62 107.2 19.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 1.0 110.291 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.464 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 97.6 m-20 -90.32 -179.02 5.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.46 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.29 -44.84 92.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.13 -39.61 82.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.605 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.464 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 14.7 m-20 -74.29 -49.43 23.11 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 37' ' ' ASP . 8.0 p -48.54 -39.33 23.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.434 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.568 ' O ' ' SD ' ' A' ' 46' ' ' MET . 41.5 t -64.14 -47.1 91.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.301 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 93.6 mt-10 -55.87 -30.94 62.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 1.0 110.51 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.36 -42.62 87.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.81 -55.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.298 -178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.568 ' SD ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -61.68 -38.85 89.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.1 m-80 -62.95 -50.08 72.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.8 -43.72 71.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.753 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.22 -37.57 77.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -74.51 -35.82 63.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -66.27 -44.1 84.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.75 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -98.31 -0.45 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.57 53.7 27.73 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.3 pt -123.02 162.56 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 1.0 110.497 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -123.47 122.0 37.13 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.418 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.94 141.53 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.67 143.27 40.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.608 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -66.86 -32.18 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.58 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.49 -29.29 69.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.526 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -82.0 -14.38 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.644 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.25 16.17 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.55 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -71.53 -37.6 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.799 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.61 -2.73 5.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.407 HD11 HG21 ' A' ' 73' ' ' VAL . 51.4 mm -75.64 128.12 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.703 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -129.5 -40.99 1.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -123.72 176.78 6.05 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.919 0.39 . . . . 1.0 110.441 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.413 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 43.9 mm -60.39 -46.65 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.598 HE21 HD11 ' A' ' 6' ' ' ILE . 3.0 mm-40 -54.79 -40.59 69.62 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.577 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -58.64 -46.27 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.166 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.88 90.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.521 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.97 85.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.45 -40.33 94.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.008 0.432 . . . . 1.0 110.525 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.407 HG21 HD11 ' A' ' 64' ' ' ILE . 82.0 t -74.36 -44.68 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.649 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.89 -53.91 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.228 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.09 -36.89 66.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.493 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.07 98.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.14 -39.38 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.94 0.4 . . . . 1.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.613 -179.378 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.519 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.572 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -73.74 164.53 26.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 1.0 109.922 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -65.53 -14.26 60.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.52 -0.764 . . . . 1.0 110.686 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 81.5 tt0 -77.88 -46.66 20.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.616 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m -60.95 -40.85 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.63 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.544 HD11 ' NE2' ' A' ' 68' ' ' GLN . 96.4 mt -59.75 -42.01 87.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.251 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.23 -41.44 96.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -62.33 -48.63 78.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.37 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.2 t -65.26 -46.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -62.93 -36.16 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 1.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.22 -43.5 97.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.647 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.47 -42.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 1.0 110.848 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' VAL . 75.7 t -63.82 -49.94 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.438 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -63.8 -31.92 73.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 1.0 110.662 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.9 tp10 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.847 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -34.74 69.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.505 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD21 ' OD2' ' A' ' 40' ' ' ASP . 83.8 mt -88.13 -7.38 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.026 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 23' ' ' VAL . . . 176.59 -176.02 0.13 Allowed 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 120.918 0.39 . . . . 1.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.4 mm? -76.35 -22.92 54.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.587 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 -14.57 62.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.09 -49.76 54.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 1.0 110.704 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -100.64 6.67 44.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 18' ' ' ALA . 76.0 t -122.78 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.195 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' VAL . 10.7 p -122.15 132.39 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.88 136.15 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.176 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -130.72 162.94 28.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.511 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.5 66.14 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 57.9 t0 -86.28 -16.95 35.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.642 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -71.59 141.64 50.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.636 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -100.11 141.89 32.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.241 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 63.5 m-85 -49.97 -41.39 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.696 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.96 -41.61 96.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.08 -37.8 86.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.804 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.64 -21.65 66.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.589 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.83 6.13 37.9 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 108.57 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' A' ' 38' ' ' SER . 32.2 t70 -91.42 -176.33 4.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.543 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -63.13 -39.64 95.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.634 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 42' ' ' VAL . 55.0 mt -63.58 -40.79 97.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.606 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.449 ' OD2' HD21 ' A' ' 17' ' ' LEU . 9.3 t70 -79.2 -34.53 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.757 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -45.39 -40.51 8.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.8 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 39' ' ' LEU . 3.5 p -66.91 -35.99 76.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 1.0 110.625 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.519 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 96.1 mt-10 -68.25 -37.67 80.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.432 HD11 ' OD2' ' A' ' 40' ' ' ASP . 37.7 mm -62.76 -48.7 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.71 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.85 -44.33 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.636 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.7 ttm -58.16 -45.91 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.774 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 3.1 m-80 -63.52 -44.01 95.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.891 0.377 . . . . 1.0 110.698 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 mt -66.04 -42.02 90.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.037 0.446 . . . . 1.0 110.857 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -57.91 -40.21 79.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.72 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -72.35 -39.23 68.26 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -67.83 -45.78 73.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.886 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -90.87 -5.22 55.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.561 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.97 52.44 46.72 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 pt -126.3 -172.41 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 1.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -151.67 112.13 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.412 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.16 138.78 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.592 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -76.7 146.59 37.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -62.97 -34.64 77.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.439 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 96.3 m-20 -61.68 -40.86 96.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.487 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.4 mtpm? -66.3 -41.4 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.879 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.53 26.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.028 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.91 -28.57 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.716 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -75.67 -2.77 31.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.571 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 73' ' ' VAL . 47.1 mm -77.26 129.07 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 32.2 t -129.77 -27.35 2.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.8 p -133.62 173.76 11.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.529 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.525 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.9 mm -61.88 -44.0 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.368 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.544 ' NE2' HD11 ' A' ' 6' ' ' ILE . 1.4 mm-40 -55.65 -47.0 77.4 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.745 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.534 ' OE1' ' N ' ' A' ' 65' ' ' SER . 80.7 mt-30 -55.78 -41.81 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.093 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.74 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.71 86.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.771 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.53 -42.91 99.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 64' ' ' ILE . 81.1 t -69.63 -44.5 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.583 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.27 -60.7 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.264 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.79 -31.07 25.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.662 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.66 -32.35 83.17 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.75 -0.94 . . . . 1.0 110.75 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.81 -39.06 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 1.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.922 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.528 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 168.67 19.21 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.318 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -61.93 -29.84 70.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -67.49 -49.89 61.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.532 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 m -60.34 -42.77 96.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.771 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.538 HD11 ' NE2' ' A' ' 68' ' ' GLN . 96.5 mt -58.89 -39.69 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.102 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -60.74 -43.4 97.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.479 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -60.78 -52.4 65.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 t -65.75 -45.29 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.396 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 t -61.66 -41.14 97.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -60.27 -43.85 95.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.579 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -42.83 78.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 1.0 110.595 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 9' ' ' VAL . 69.0 t -64.98 -50.68 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.21 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.0 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.617 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.4 mt-10 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.667 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.0 mmmt -71.35 -36.08 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.125 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.76 -14.26 42.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.854 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.7 -157.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 1.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -84.78 -17.93 36.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.47 -22.77 33.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.6 -39.22 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 1.0 110.607 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 48.1 t0 -84.83 -3.57 58.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.496 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.1 151.19 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.39 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -121.74 127.96 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.097 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.0 t -116.5 134.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.608 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -136.14 163.18 30.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.609 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.32 63.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 51.1 t0 -88.42 -17.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.607 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 p -71.65 143.32 49.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.607 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.99 145.85 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.375 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 70.1 m-85 -53.64 -42.71 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.768 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.4 m -61.61 -41.87 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.39 -38.24 88.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.893 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.96 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.68 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.33 -9.17 30.9 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.99 109.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 1.0 110.533 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.2 t0 -91.84 -171.51 2.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.954 0.406 . . . . 1.0 110.504 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.562 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -62.96 -40.17 96.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.505 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.3 mp -69.11 -40.34 78.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.03 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.46 -42.76 67.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.278 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -45.88 -32.25 2.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.513 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 t -67.16 -43.19 88.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.187 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 14.0 mp0 -68.31 -36.95 80.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -62.99 -52.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.029 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 46' ' ' MET . 12.9 p -67.95 -42.38 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.51 ' N ' HG13 ' A' ' 45' ' ' VAL . 54.6 ttm -59.0 -45.09 91.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.518 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -65.76 -43.27 89.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.1 -43.26 95.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.743 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.07 -37.5 80.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.826 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -74.93 -36.77 62.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.83 -44.33 85.89 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.595 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -97.76 -2.59 40.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.617 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.11 52.8 44.57 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.0 pt -125.45 152.55 32.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.76 0.314 . . . . 1.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -111.23 114.29 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.583 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.58 132.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.567 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -81.29 142.52 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.465 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -60.82 -26.78 67.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.74 -40.26 91.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.363 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.63 -13.0 58.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.42 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.92 7.96 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.627 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -69.51 -39.81 77.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.955 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 53.6 t0 -65.06 -7.91 14.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.467 HD11 HG21 ' A' ' 73' ' ' VAL . 40.0 mm -79.8 130.76 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.72 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.54 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 16.5 m -139.03 -24.2 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.525 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.8 p -132.94 171.48 13.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.516 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 46.4 mm -60.94 -43.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.629 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.538 ' NE2' HD11 ' A' ' 6' ' ' ILE . 2.0 mm-40 -56.08 -47.0 78.82 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.765 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.54 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -57.38 -42.09 81.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.071 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.9 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.36 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.62 71.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 1.0 110.704 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.5 -38.32 86.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.536 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.467 HG21 HD11 ' A' ' 64' ' ' ILE . 77.2 t -76.48 -45.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.74 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.76 -55.59 22.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.041 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.8 pp20? -48.68 -36.34 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.565 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.444 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.38 -40.96 98.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.67 -42.58 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.635 0.255 . . . . 1.0 110.722 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 78' ' ' LEU . 9.6 mp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.433 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.597 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.057 -0.72 . . . . 1.0 109.057 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -81.84 159.31 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.902 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.53 -16.68 61.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.462 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 9.3 tm-20 -75.16 -44.84 44.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 1.0 110.661 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.692 HD11 ' NE2' ' A' ' 68' ' ' GLN . 57.1 mt -60.38 -42.9 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.159 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.42 -39.99 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.489 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -63.92 -53.02 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 1.0 111.263 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 13' ' ' VAL . 55.0 t -63.52 -44.79 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.242 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.3 p -59.57 -40.51 87.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 1.0 110.576 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.19 -43.18 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.333 0.587 . . . . 1.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.9 mt -68.66 -41.96 82.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.371 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 9' ' ' VAL . 85.3 t -66.04 -54.69 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.088 -0.505 . . . . 1.0 112.044 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -58.64 -37.13 75.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.936 0.398 . . . . 1.0 110.732 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' ALA . 93.7 mt-10 -72.13 -35.69 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 17.7 mmmt -71.83 -35.66 69.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.541 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -89.12 -12.54 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.011 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.52 -162.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 1.0 110.493 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.9 mt -77.51 -23.02 50.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.615 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.85 -23.18 37.12 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.16 -29.18 17.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.753 0.311 . . . . 1.0 110.808 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.17 -1.19 57.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.97 152.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -127.4 126.35 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.052 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 p -119.26 140.9 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.246 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.409 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.4 p -133.63 161.9 33.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.522 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -57.39 -23.55 49.93 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.174 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -94.97 -9.04 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.792 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB3' ' H ' ' A' ' 26' ' ' THR . 39.9 t -74.2 137.7 43.26 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.781 0.324 . . . . 1.0 110.461 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -90.55 147.7 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 62.6 m-85 -59.72 -39.85 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.571 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.56 -37.07 84.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.739 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -63.03 -39.99 96.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.59 -16.2 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.295 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.42 -1.39 37.16 Favored Glycine 0 N--CA 1.464 0.556 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.904 -0.318 . . . . 1.0 110.329 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' A' ' 38' ' ' SER . 42.4 t0 -94.4 -172.84 2.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.079 0.466 . . . . 1.0 110.473 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.558 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.13 -31.72 71.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.9 m-20 -81.75 -47.63 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.996 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 37' ' ' ASP . 3.3 p -45.65 -40.75 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.045 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.83 -33.95 58.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.303 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ASP . 94.4 mt-10 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.675 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.29 -46.43 95.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.573 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.6 -43.57 83.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.17 -47.28 78.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.802 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.546 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 1.5 m-80 -64.07 -42.84 96.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.713 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.1 -42.18 94.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.843 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -58.42 -39.86 80.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.726 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -75.2 -36.11 61.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 14.0 tm-20 -65.97 -44.7 84.19 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.098 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.454 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 96.5 m-85 -98.54 -5.81 31.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.498 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 45.68 95.29 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.255 -0.738 . . . . 1.0 111.255 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.05 -168.13 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.82 0.343 . . . . 1.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.27 124.7 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.2 131.34 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 54.8 t0 -78.68 150.65 32.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 98.4 mt-10 -62.44 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.09 -41.61 99.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.785 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.9 mttp -66.39 -39.27 88.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.745 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.51 23.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 1.0 111.145 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' H ' ' C ' ' A' ' 60' ' ' LYS . 83.9 mm-40 -82.94 -31.07 27.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.14 1.08 29.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.704 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.509 HD11 HG21 ' A' ' 73' ' ' VAL . 48.7 mm -85.95 126.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.04 0.447 . . . . 1.0 110.515 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.525 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 3.1 m -133.2 -17.91 2.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.279 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 23.2 p -137.76 168.75 19.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.926 0.393 . . . . 1.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.473 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 6.0 mm -61.84 -43.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.596 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.692 ' NE2' HD11 ' A' ' 6' ' ' ILE . 2.2 mm-40 -56.28 -44.33 79.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 66' ' ' THR . 86.2 mt-30 -58.71 -40.96 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.83 94.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.6 78.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -61.95 -41.33 97.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.509 HG21 HD11 ' A' ' 64' ' ' ILE . 92.7 t -73.13 -44.38 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.613 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.5 -58.71 6.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.44 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.0 -31.53 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.61 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -42.3 99.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.0 -41.39 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 1.0 110.729 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 78' ' ' LEU . 9.7 mp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.441 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.578 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -75.96 166.97 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.059 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.696 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.627 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -60.9 -45.76 93.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 1.0 110.887 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.549 HD11 ' NE2' ' A' ' 68' ' ' GLN . 69.1 mt -56.87 -36.14 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.5 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -64.02 -39.33 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.621 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -65.45 -52.41 53.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.04 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 13' ' ' VAL . 10.8 t -65.71 -46.31 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.7 p -60.99 -38.09 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.677 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -62.88 -43.73 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.469 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.8 -43.53 69.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.858 0.361 . . . . 1.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 9' ' ' VAL . 69.5 t -62.74 -51.4 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.421 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -64.29 -32.68 74.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.935 0.398 . . . . 1.0 110.775 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' A' ' 18' ' ' ALA . 49.4 tp10 -73.74 -39.55 64.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.743 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -32.98 65.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.411 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 84.0 mt -93.78 -0.8 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.001 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 175.62 -172.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.515 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.5 mp -72.43 -24.59 61.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.446 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.14 -22.63 38.61 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.22 15.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.701 0.286 . . . . 1.0 110.769 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -96.1 8.4 43.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.731 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.38 151.02 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.36 121.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.105 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 p -117.66 136.38 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -139.68 159.34 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.07 60.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.291 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 45.9 t0 -89.39 -10.37 46.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.606 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.6 p -76.2 139.89 41.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.568 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' H ' ' HE2' ' A' ' 33' ' ' LYS . 96.8 mt-10 -94.03 148.89 21.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.289 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 82.5 m-85 -58.25 -34.63 70.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -60.72 -44.26 96.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HE2' ' H ' ' A' ' 30' ' ' GLU . 52.9 mtmt -61.85 -36.26 80.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.781 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.67 -14.94 63.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 -1.97 52.09 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.62 108.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.541 ' CG ' ' H ' ' A' ' 38' ' ' SER . 26.0 t70 -91.58 -173.61 3.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.466 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.541 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.68 -46.99 87.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.467 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 53.4 mt -67.04 -42.07 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.73 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 93.6 m-20 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -45.75 -38.38 6.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.705 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.77 -42.75 89.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.466 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -62.53 -37.58 86.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.373 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.02 -48.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.55 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.93 -42.58 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.366 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 tpp -58.24 -47.83 82.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.73 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.5 m-80 -62.93 -43.92 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.537 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.45 -43.28 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 1.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -58.45 -40.43 82.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -75.23 -36.52 61.31 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.793 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -66.55 -45.9 77.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.921 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -97.43 -2.0 43.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.686 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.4 48.27 76.94 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -121.19 -167.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.694 0.283 . . . . 1.0 110.357 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -142.89 115.29 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.25 131.89 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.0 t0 -102.01 152.88 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.283 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 81.4 tt0 -58.2 -37.63 75.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.292 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.7 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 98.0 m-20 -67.4 -20.02 65.48 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.642 ' C ' HE22 ' A' ' 62' ' ' GLN . 98.3 mttt -96.46 -19.57 19.05 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 123.354 0.409 . . . . 1.0 110.926 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.79 19.5 20.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.216 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.982 ' NE2' ' H ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -74.11 -26.53 60.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.973 -179.424 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.527 ' N ' ' OE1' ' A' ' 62' ' ' GLN . 25.4 t70 -80.44 2.1 26.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.522 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 73' ' ' VAL . 50.3 mm -78.4 127.88 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.384 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 t -125.24 -40.45 2.13 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 p -128.89 169.33 14.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.542 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 44.7 mm -53.51 -44.77 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.335 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.549 ' NE2' HD11 ' A' ' 6' ' ' ILE . 3.5 mm-40 -55.51 -42.39 74.43 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.384 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -58.29 -46.21 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.199 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 64' ' ' ILE . . . -66.05 -39.19 89.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.0 82.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.87 -45.53 94.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.875 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 64' ' ' ILE . 54.1 t -62.44 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.467 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.28 -48.48 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.308 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -47.87 -36.39 12.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 1.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.06 -43.55 99.29 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 1.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 78' ' ' LEU . 10.7 mp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.331 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.522 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.58 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -74.26 149.42 40.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 1.0 109.864 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.536 ' CD ' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -53.51 -22.27 7.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.529 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -72.37 -46.84 53.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.631 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -60.59 -43.08 97.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.643 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.69 ' CD1' HE21 ' A' ' 68' ' ' GLN . 56.3 mt -55.79 -39.83 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.359 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.674 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -63.84 -46.58 84.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.035 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 13' ' ' VAL . 89.8 t -64.0 -45.73 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -62.04 -47.21 85.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.998 -0.281 . . . . 1.0 110.647 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -50.43 -45.54 55.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.712 0.632 . . . . 1.0 110.727 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.13 -42.66 81.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.743 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 9' ' ' VAL . 84.7 t -64.29 -50.95 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.724 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.41 -34.61 78.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 1.0 110.864 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.5 mm-40 -67.77 -36.83 81.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.29 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.684 ' NZ ' HD21 ' A' ' 47' ' ' ASN . 18.8 mmmt -72.63 -35.76 67.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.81 -12.59 38.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.719 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.13 -152.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 53.5 mt -94.98 -22.04 18.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.94 -18.54 55.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.09 -32.15 18.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.692 0.282 . . . . 1.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -94.78 -3.38 49.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' VAL . 14.6 p -132.1 154.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.419 ' N ' HG22 ' A' ' 23' ' ' VAL . 11.3 p -126.72 130.54 71.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.172 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -116.73 134.89 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.193 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -131.96 162.06 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.444 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.15 -24.5 54.68 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.559 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 39.3 t0 -88.66 -8.04 55.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 m -77.54 134.26 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.778 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -93.0 143.4 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 60.7 m-85 -55.74 -41.6 74.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.761 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -61.49 -39.16 89.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -62.14 -39.92 94.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.15 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.29 -16.22 63.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.625 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.04 -7.57 33.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.05 -0.82 . . . . 1.0 111.05 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.28 109.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.846 -0.342 . . . . 1.0 110.4 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.566 ' CG ' ' H ' ' A' ' 38' ' ' SER . 41.6 t0 -92.9 -171.21 2.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.541 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.566 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -60.52 -45.73 92.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' OE1' ' A' ' 43' ' ' GLU . 83.3 mt -66.13 -39.26 89.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.007 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -73.15 -47.23 45.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.64 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -47.36 -34.5 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.099 0.476 . . . . 1.0 110.605 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -64.66 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.901 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 4.4 mp0 -68.02 -30.18 69.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.895 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.42 -46.19 80.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.173 -0.467 . . . . 1.0 112.186 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' CG2' ' OE2' ' A' ' 49' ' ' GLU . 2.1 p -61.59 -49.07 85.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.943 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.437 ' HG3' HD22 ' A' ' 47' ' ' ASN . 20.8 ptp -62.59 -38.74 91.3 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.951 -0.299 . . . . 1.0 111.12 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.684 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 2.9 m-80 -62.26 -43.48 98.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.387 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.94 -43.11 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.075 0.464 . . . . 1.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' OE2' ' CG2' ' A' ' 45' ' ' VAL . 92.7 mt-10 -57.91 -36.79 72.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.795 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -73.05 -38.77 66.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.743 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -69.74 -45.96 66.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.919 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -86.49 -7.26 58.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.518 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.02 48.49 85.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.285 -0.726 . . . . 1.0 111.285 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 pt -126.15 -167.11 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.79 0.329 . . . . 1.0 110.427 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -149.48 117.36 6.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.426 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.7 t -127.68 131.35 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.36 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -74.29 148.15 41.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.334 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.03 -36.38 83.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.559 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.82 -40.51 97.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 62' ' ' GLN . 98.4 mttt -66.72 -39.84 88.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 1.0 110.858 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 16.75 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.196 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 60' ' ' LYS . 86.5 mm-40 -78.03 -39.27 42.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -66.3 -17.86 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 73' ' ' VAL . 48.3 mm -66.09 128.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.351 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 19.9 m -130.97 -23.77 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.427 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 p -134.64 172.08 13.44 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.87 0.367 . . . . 1.0 110.431 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.418 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 5.7 mm -62.42 -43.45 98.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.624 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.69 HE21 ' CD1' ' A' ' 6' ' ' ILE . 1.8 mm-40 -56.72 -44.51 81.66 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.54 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.0 mt-30 -57.7 -41.43 81.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.954 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.55 89.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.502 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.62 81.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -42.73 99.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 64' ' ' ILE . 70.9 t -69.39 -43.71 80.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.565 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.34 -60.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.311 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.1 -34.68 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.735 0.303 . . . . 1.0 110.742 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.3 -41.06 96.67 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -64.22 -40.71 96.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 1.0 110.704 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.434 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.452 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.474 ' CG ' ' H ' ' A' ' 5' ' ' THR . 16.7 ptmt -136.91 170.12 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.485 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.453 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -63.91 -31.98 73.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.677 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -69.39 -46.97 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.735 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.474 ' H ' ' CG ' ' A' ' 2' ' ' LYS . 99.3 m -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.4 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.095 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.2 -42.56 98.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.731 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -63.38 -49.4 73.98 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.694 -0.402 . . . . 1.0 111.09 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.8 t -66.36 -45.64 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 1.0 109.953 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -61.43 -38.07 85.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.791 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.7 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.994 0.426 . . . . 1.0 110.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mt -71.78 -42.9 70.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.725 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 9' ' ' VAL . 72.5 t -63.72 -50.9 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.687 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -62.87 -33.81 76.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.93 0.395 . . . . 1.0 110.409 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 48.6 tp10 -70.66 -37.68 73.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 18.6 mmmt -72.11 -33.52 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.379 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 82.1 mt -92.29 -3.06 55.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.006 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.38 -171.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 1.0 110.482 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.94 -23.24 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.441 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.24 80.13 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 -47.17 5.06 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.768 0.318 . . . . 1.0 110.978 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.78 9.98 10.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.828 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 24' ' ' VAL . 13.2 p -131.4 155.67 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.363 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -124.44 129.78 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.01 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.23 139.27 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -138.63 158.48 44.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.261 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.4 65.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.199 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 43.4 t0 -87.89 -9.14 54.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.778 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 p -72.52 141.7 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.422 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -95.37 143.73 26.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.121 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 60.5 m-85 -55.11 -40.93 71.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.166 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -65.15 -35.35 80.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.148 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.48 -37.69 87.57 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 120.876 0.37 . . . . 1.0 110.588 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.98 -6.63 28.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.334 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 19.23 32.44 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -78.49 109.33 12.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.706 0.288 . . . . 1.0 110.323 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 41' ' ' THR . 72.0 m-20 -89.45 174.8 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -59.68 -36.81 77.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' O ' HG12 ' A' ' 42' ' ' VAL . 59.7 mt -68.32 -33.72 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.841 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -82.04 -39.37 23.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 1.0 110.89 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 38' ' ' SER . 4.1 p -45.86 -39.09 8.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.91 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 39' ' ' LEU . 3.7 p -65.12 -36.86 78.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.156 0.503 . . . . 1.0 110.235 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.47 -37.9 77.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mm -61.29 -50.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.733 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 46' ' ' MET . 7.3 p -68.45 -39.3 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.572 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.417 ' N ' HG13 ' A' ' 45' ' ' VAL . 56.4 ttm -59.53 -48.56 81.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.757 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -64.29 -42.16 96.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.667 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.72 -41.89 95.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.578 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -38.51 89.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.096 0.474 . . . . 1.0 110.35 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.48 -38.98 62.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.103 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -70.44 -42.72 71.16 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.911 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.96 -7.28 49.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.484 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 49.57 67.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.8 pt -124.88 163.9 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.559 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -127.53 120.17 27.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.429 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.61 138.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.168 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.9 t0 -70.65 143.05 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.272 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.4 tm-20 -65.75 -34.03 77.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.63 -31.26 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -79.72 -14.9 58.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.798 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.2 12.88 18.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 64' ' ' ILE . 96.7 mm-40 -70.01 -39.31 75.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.916 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -64.58 -1.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.595 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' H ' ' C ' ' A' ' 62' ' ' GLN . 51.2 mm -79.71 127.99 38.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.489 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -128.1 -39.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -128.43 173.93 9.78 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.766 0.317 . . . . 1.0 110.502 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.496 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 47.5 mm -57.94 -44.91 87.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.596 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.452 HE22 ' HB3' ' A' ' 1' ' ' ALA . 0.8 OUTLIER -55.79 -41.15 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.154 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -58.24 -44.16 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.232 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.09 86.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.349 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.5 86.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.668 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -40.21 96.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.436 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.89 -46.34 40.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.666 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.28 -55.34 23.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.353 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -50.79 -33.08 21.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 1.0 110.714 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.48 99.51 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.5 -41.4 96.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 1.0 110.666 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.0 mm? . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.427 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.556 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.84 170.97 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.09 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.434 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -65.72 -29.05 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.404 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.38 -47.68 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.863 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -61.8 -42.66 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.71 -40.07 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.69 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.53 -42.99 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.742 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -60.72 -50.97 71.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.103 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.9 t -66.96 -45.48 87.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.406 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.8 p -59.88 -39.43 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.52 -0.309 . . . . 1.0 110.963 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.98 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.04 0.447 . . . . 1.0 110.622 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -71.43 -42.85 73.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.7 t -61.53 -51.05 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.969 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.85 -32.5 74.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.724 -0.39 . . . . 1.0 109.982 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 18' ' ' ALA . 42.6 tp10 -71.12 -40.09 71.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.744 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.727 ' HZ3' HD21 ' A' ' 47' ' ' ASN . 0.1 OUTLIER -68.88 -36.3 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.591 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.82 -8.3 49.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.357 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -179.35 -167.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 19' ' ' LEU . 9.9 mp -81.86 -22.37 36.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 1.0 110.261 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.25 9.14 76.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.46 -61.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 1.0 110.689 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.02 3.45 55.72 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.694 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.84 132.99 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.3 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -119.81 128.93 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.067 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 p -118.4 144.59 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.304 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -137.11 161.95 34.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.315 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.39 67.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -87.19 -10.49 52.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -73.32 154.75 39.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.366 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -107.32 146.76 31.15 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.21 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.528 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 73.2 m-85 -57.71 -41.69 82.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.42 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -61.95 -40.56 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.669 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -60.13 -37.11 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.49 -5.06 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.509 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.62 16.54 45.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.268 -0.733 . . . . 1.0 111.268 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.07 108.1 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 1.0 110.414 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 29.5 p30 -98.35 -172.18 2.29 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.537 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.27 -44.75 92.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.734 -0.667 . . . . 1.0 110.446 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.05 -32.72 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.746 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 97.5 m-20 -84.24 -53.21 5.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 1.0 110.856 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 p -45.57 -41.58 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 1.0 111.545 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.68 -35.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.941 0.4 . . . . 1.0 109.991 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 96.7 mt-10 -70.47 -37.39 74.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.773 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -60.7 -51.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.912 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 46' ' ' MET . 7.6 p -68.31 -43.56 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 1.0 110.692 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.488 ' N ' HG13 ' A' ' 45' ' ' VAL . 59.3 ttp -59.56 -45.86 90.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.834 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.727 HD21 ' HZ3' ' A' ' 16' ' ' LYS . 53.1 m-80 -64.92 -42.41 94.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.771 0.319 . . . . 1.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.32 -42.54 96.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.899 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -57.48 -39.51 76.56 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.352 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.17 -37.29 69.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.984 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.94 -43.64 87.45 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.882 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -96.94 -1.68 45.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.671 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.97 51.82 47.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.47 156.06 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.876 0.37 . . . . 1.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -119.71 121.51 39.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.83 141.41 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.237 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -73.94 148.63 42.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -66.96 -35.27 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.737 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.6 p30 -62.31 -38.45 89.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 1.0 110.749 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.3 mttp -66.76 -40.08 88.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.23 14.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.158 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.426 ' C ' ' H ' ' A' ' 64' ' ' ILE . 76.1 mm-40 -71.26 -39.93 71.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.953 0.406 . . . . 1.0 111.0 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 49.5 t0 -63.5 -1.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.497 HD11 HG21 ' A' ' 73' ' ' VAL . 51.3 mm -78.44 126.7 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.333 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 p -127.27 -40.99 1.78 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.382 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.0 p -124.6 173.48 8.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.479 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.528 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.1 mm -59.03 -45.16 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.559 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.556 HE22 ' HB3' ' A' ' 1' ' ' ALA . 1.7 mm-40 -53.92 -41.79 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.335 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -58.94 -45.68 89.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.305 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.68 91.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.22 90.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.695 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.69 -41.38 99.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 1.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 64' ' ' ILE . 85.4 t -70.95 -45.84 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.75 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.16 -51.82 67.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.156 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -64.84 -33.24 75.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.099 0.476 . . . . 1.0 110.352 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.33 -23.59 64.62 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -84.97 -45.44 12.18 Favored 'General case' 0 N--CA 1.46 0.066 0 CA-C-O 121.163 0.506 . . . . 1.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.311 -179.21 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.485 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.3 157.33 22.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.846 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -63.06 -16.03 58.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.536 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 11.0 tm-20 -76.67 -43.65 37.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 m -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.677 HD11 ' NE2' ' A' ' 68' ' ' GLN . 55.2 mt -57.2 -38.83 63.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.04 -42.15 98.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.464 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -64.52 -48.99 73.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 1.0 110.938 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 13' ' ' VAL . 57.5 t -64.58 -46.1 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.36 -40.54 94.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.064 0.459 . . . . 1.0 110.78 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.36 -41.85 78.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.9 t -65.7 -51.39 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.509 -178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -63.2 -36.69 84.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.92 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' ALA . 66.5 mm-40 -71.82 -34.7 69.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HZ1' ' HG3' ' A' ' 43' ' ' GLU . 17.5 mmmt -73.2 -32.83 65.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.412 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.58 -2.15 52.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.115 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.37 -170.77 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.607 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 62.6 mt -70.33 -23.98 62.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.695 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.96 -23.05 37.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.66 -29.22 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 1.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -94.81 4.68 53.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.786 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 24' ' ' VAL . 5.8 p -131.13 154.45 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.339 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.429 ' N ' HG22 ' A' ' 23' ' ' VAL . 79.0 t -126.37 125.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 109.96 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -118.08 134.98 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.417 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -134.46 161.44 35.03 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.589 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.34 66.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -86.61 -9.67 55.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.673 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -76.88 146.44 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.573 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.11 141.34 35.11 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.317 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.532 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 62.4 m-85 -50.39 -39.37 46.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.517 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.8 p -62.62 -39.26 93.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.664 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -62.6 -38.06 88.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.77 -20.09 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.49 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.52 0.7 37.38 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 108.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.918 -0.313 . . . . 1.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.422 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 97.4 m-20 -93.42 -176.19 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.47 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.26 -45.47 93.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.455 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.22 -37.65 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.573 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 99.3 m-20 -78.65 -47.6 16.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 m -46.0 -45.48 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.017 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 p -64.55 -32.64 58.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.406 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.526 ' HG3' ' HZ1' ' A' ' 16' ' ' LYS . 1.2 tp10 -71.94 -35.17 69.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.481 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.43 -50.44 80.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.833 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 46' ' ' MET . 5.7 p -66.94 -42.5 88.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.449 ' N ' HG13 ' A' ' 45' ' ' VAL . 36.6 ttp -56.33 -47.3 79.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.877 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -65.98 -43.02 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.8 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.22 -42.88 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.589 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -58.46 -37.98 76.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.554 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.75 -37.02 65.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.812 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.1 tm-20 -68.06 -43.85 77.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.075 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 80.3 m-85 -93.23 -3.58 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.552 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.34 54.91 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.5 pt -125.24 -167.62 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.819 0.343 . . . . 1.0 110.459 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -148.52 115.49 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -132.94 133.35 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.317 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -89.63 151.91 21.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.386 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -60.56 -36.34 78.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.625 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -62.32 -36.67 82.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.435 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -84.77 -15.04 46.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.78 10.66 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.732 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -68.63 -38.42 80.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.882 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -6.16 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.66 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.6 mm -78.69 126.38 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.577 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 p -123.93 -43.79 2.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.5 p -126.93 178.05 6.22 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.657 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.532 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 42.5 mm -59.77 -44.63 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.32 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.677 ' NE2' HD11 ' A' ' 6' ' ' ILE . 5.7 mm-40 -54.95 -42.73 72.68 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.596 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -56.93 -46.77 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.352 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.14 89.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.773 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -63.35 -39.96 95.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 1.0 110.544 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -73.21 -44.84 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.7 -49.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.149 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.06 -31.67 72.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.945 0.402 . . . . 1.0 110.76 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.83 -26.41 73.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.312 -0.715 . . . . 1.0 111.312 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.5 mt -75.12 -34.22 61.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.719 0.295 . . . . 1.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.822 -178.866 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.567 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -63.48 146.71 53.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.094 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -52.31 -18.78 1.72 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.585 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.434 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 44.0 tt0 -75.31 -47.19 28.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.47 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 m -60.08 -42.23 94.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.627 HD11 ' NE2' ' A' ' 68' ' ' GLN . 53.0 mt -58.46 -40.39 78.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.326 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.61 -43.93 96.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.836 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.68 -49.26 77.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.924 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 13' ' ' VAL . 84.0 t -66.2 -46.01 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.459 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -61.69 -40.46 95.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.583 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -60.02 -45.69 91.95 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 121.224 0.535 . . . . 1.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.12 -43.28 75.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.431 . . . . 1.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 9' ' ' VAL . 67.8 t -62.96 -50.69 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.268 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.9 -33.36 75.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.694 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.1 mt-10 -67.62 -42.69 81.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.951 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.59 ' HB3' ' HZ2' ' A' ' 16' ' ' LYS . 2.3 mtpm? -70.82 -35.45 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.33 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 80.3 mt -90.91 -2.54 57.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.933 -178.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . 174.19 -176.31 0.08 Allowed 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.494 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.6 mm? -82.94 -22.77 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.706 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.3 -5.23 84.27 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.08 -0.808 . . . . 1.0 111.08 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.45 -55.31 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 1.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -101.26 12.17 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.597 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 18' ' ' ALA . 77.9 t -118.92 133.68 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.813 0.34 . . . . 1.0 110.185 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.15 129.1 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.86 140.04 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.668 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.451 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.4 p -140.29 161.37 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.676 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.418 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -58.53 -24.6 61.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.417 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 50.8 t0 -87.89 -19.13 27.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.549 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB3' ' H ' ' A' ' 26' ' ' THR . 12.9 t -71.66 138.67 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.61 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 97.6 mt-10 -87.83 166.3 14.68 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 120.958 0.409 . . . . 1.0 110.754 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.47 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 63.5 m-85 -71.54 -36.73 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.972 0.415 . . . . 1.0 110.719 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 m -65.51 -42.97 91.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.264 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -62.94 -20.83 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.63 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 34' ' ' LEU . 60.2 mt -82.41 -6.38 59.25 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.268 -179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.72 9.37 52.78 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -63.27 145.15 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 1.0 110.37 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.554 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 99.7 m-20 -142.64 -177.1 5.13 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.681 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.08 -43.9 95.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -70.18 -32.52 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.714 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.554 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 7.3 m-20 -84.24 -49.01 9.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.977 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 37' ' ' ASP . 8.1 p -45.87 -44.33 14.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.042 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 43' ' ' GLU . 11.8 p -63.45 -38.37 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.46 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.473 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.2 mt-10 -66.71 -36.34 82.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.886 0.374 . . . . 1.0 110.589 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.82 -44.42 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.441 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.73 -46.48 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.25 -41.43 98.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-80 -66.4 -50.38 63.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.925 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.42 -43.87 93.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.754 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.3 -39.06 78.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -73.8 -33.16 64.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.687 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.63 -42.81 86.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.508 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.14 -1.89 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.538 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.12 50.24 65.86 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 111.145 -0.782 . . . . 1.0 111.145 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.5 pt -125.1 -168.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.397 . . . . 1.0 110.489 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 10.6 p30 -148.77 115.57 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.4 t -128.68 129.96 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.431 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.7 t0 -78.1 142.35 38.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 99.2 mt-10 -58.35 -35.34 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -65.12 -34.91 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.99 -15.24 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.565 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.77 11.72 23.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.511 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.429 ' C ' ' H ' ' A' ' 64' ' ' ILE . 95.7 mm-40 -69.66 -40.37 76.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.811 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 57.2 t0 -63.36 -1.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.449 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.429 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.7 mm -81.4 127.17 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.521 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 p -127.96 -39.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.502 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -127.38 174.51 8.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.47 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 43.6 mm -58.85 -47.8 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.518 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.627 ' NE2' HD11 ' A' ' 6' ' ' ILE . 8.2 mm-40 -51.1 -40.03 57.5 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.18 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.279 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.47 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.709 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.718 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.58 -44.37 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.775 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.55 -44.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.764 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.51 -54.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.074 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -65.5 -32.69 74.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.423 . . . . 1.0 110.568 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.87 -27.6 64.64 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -78.01 -42.03 33.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.527 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 161.99 32.09 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.117 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.42 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -60.16 -31.98 70.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.653 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -65.0 -49.38 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.531 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.0 m -60.97 -42.06 97.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.829 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.681 HD11 ' NE2' ' A' ' 68' ' ' GLN . 96.3 mt -59.22 -40.89 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.966 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.72 -42.53 97.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.565 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -62.58 -48.08 81.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.981 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.0 t -64.07 -46.81 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.051 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.56 -39.81 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.596 -0.274 . . . . 1.0 110.675 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.76 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.492 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -69.17 -43.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.01 0.433 . . . . 1.0 110.42 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 9' ' ' VAL . 71.4 t -64.02 -49.01 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.619 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -65.62 -32.67 74.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.099 0.476 . . . . 1.0 110.361 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' ALA . 51.5 tp10 -69.24 -42.33 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.789 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -35.1 73.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.295 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 93.9 mt -85.95 -11.67 52.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.874 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.47 -174.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.347 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.7 mt -72.6 -23.36 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.877 0.37 . . . . 1.0 110.54 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.19 -17.24 52.85 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.703 -0.959 . . . . 1.0 110.703 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -50.53 60.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 1.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -96.18 1.9 52.64 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.42 132.43 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.148 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -118.57 131.37 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.4 t -116.62 136.17 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -133.19 165.86 23.81 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.78 -23.53 65.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.502 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.4 -20.22 26.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 m -69.71 140.12 53.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.362 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -98.8 143.7 28.85 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 73.1 m-85 -51.86 -40.91 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.852 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -61.21 -42.2 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 1.0 110.711 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -61.69 -38.19 86.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.76 -22.11 66.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.592 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 17.98 11.27 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 111.225 -0.75 . . . . 1.0 111.225 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.91 109.6 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 1.0 110.364 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -92.39 -168.55 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.543 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -61.81 -46.71 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.634 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.767 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.96 -44.74 91.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.0 m -46.36 -38.76 9.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 1.0 110.737 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.941 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 95.8 mt-10 -63.68 -39.35 94.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.678 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.4 HG23 HG22 ' A' ' 13' ' ' VAL . 38.7 mm -64.55 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 1.0 110.95 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.42 -44.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.367 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.66 -44.71 96.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.724 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.7 m-80 -64.89 -44.57 89.19 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.784 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.65 -42.24 91.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.032 0.444 . . . . 1.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.23 -39.77 87.87 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -73.86 -39.46 63.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -70.54 -44.03 68.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.719 -0.393 . . . . 1.0 110.882 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -88.44 -6.83 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.324 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.02 49.58 70.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.1 pt -127.59 162.63 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.838 0.352 . . . . 1.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -132.61 115.67 15.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.283 179.614 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.11 145.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.262 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.41 148.41 31.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -65.11 -37.27 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.5 p30 -50.38 -32.24 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.426 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.6 mttp -88.23 -13.28 41.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.343 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLU . . . -94.19 3.8 54.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.019 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 59' ' ' ASP . 2.4 pt20 -68.5 -37.75 80.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.864 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.63 -4.91 4.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.602 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 73' ' ' VAL . 46.3 mm -79.48 127.78 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 53.7 p -126.61 -36.63 2.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.596 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.0 p -125.23 172.67 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.74 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 41.5 mm -60.85 -44.02 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.372 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.681 ' NE2' HD11 ' A' ' 6' ' ' ILE . 1.7 mm-40 -54.37 -45.01 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.284 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 81.8 mt-30 -59.31 -40.93 87.81 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.999 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -42.03 84.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.355 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 64' ' ' ILE . 73.3 t -70.26 -44.53 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.506 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.41 -60.47 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.115 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -48.93 -36.63 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.843 0.354 . . . . 1.0 110.663 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.93 -37.92 94.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.45 -39.6 92.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 1.0 110.849 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.489 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.439 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 139.99 30.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.423 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -46.35 -21.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.445 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -70.22 -45.64 66.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.2 m -64.51 -33.88 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.614 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.5 mm -61.36 -41.25 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.439 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.64 -41.13 97.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.66 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -58.15 -52.64 64.7 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.925 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.8 t -65.41 -45.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.404 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -60.22 -41.8 93.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.811 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.05 -46.2 90.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 1.0 110.592 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.34 -42.09 81.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.72 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 9' ' ' VAL . 61.7 t -64.09 -53.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.479 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.47 -32.86 73.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.937 0.399 . . . . 1.0 110.527 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.0 tt0 -70.06 -39.92 75.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.885 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.7 mmmt -69.62 -36.86 76.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.548 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.63 -12.21 51.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.022 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.91 -171.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.351 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.0 mp -78.69 -23.49 45.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.78 -15.8 60.81 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.0 110.919 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -96.63 3.32 52.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.781 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.23 134.27 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 1.0 110.28 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.8 p -116.87 128.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.157 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 p -117.26 146.07 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.384 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.2 p -139.13 158.95 43.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.461 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -56.24 -28.01 57.0 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.113 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 46.6 t0 -88.82 -11.02 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.677 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HB3' ' H ' ' A' ' 26' ' ' THR . 57.2 p -66.75 143.32 57.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.366 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.37 144.01 28.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.261 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 68.3 m-85 -57.15 -37.48 72.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.664 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.99 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.72 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -62.84 -39.89 95.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.3 mt -66.05 -20.43 66.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.78 6.17 37.98 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 108.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 1.0 110.437 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.593 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.0 t0 -101.25 -169.69 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.43 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.593 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.67 -44.92 96.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.397 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.87 -37.3 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.405 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 98.8 m-20 -82.33 -49.15 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.075 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 37' ' ' ASP . 52.7 m -45.92 -45.3 15.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.459 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 43' ' ' GLU . 12.8 p -63.51 -36.02 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.802 -0.359 . . . . 1.0 110.421 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 42' ' ' VAL . 80.6 mm-40 -68.27 -34.22 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.584 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -60.72 -49.31 85.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.675 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.57 -44.2 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.967 0.413 . . . . 1.0 110.747 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.6 ttm -55.23 -48.41 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.856 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.575 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 1.9 m-80 -64.17 -44.19 92.84 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.949 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.01 -42.29 97.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.381 . . . . 1.0 110.704 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.85 -39.89 82.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -74.21 -36.12 63.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -66.36 -47.37 73.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -96.1 -2.76 45.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.588 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.31 45.52 82.88 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.4 pt -112.01 -170.93 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.868 0.366 . . . . 1.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -156.51 113.24 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.8 p -141.58 141.62 29.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.422 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -78.77 146.6 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.559 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.37 -33.72 76.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.592 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HA ' HE21 ' A' ' 62' ' ' GLN . 93.5 m-20 -51.49 -41.91 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.426 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.93 -13.38 59.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.24 6.03 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.685 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.438 HE21 ' HA ' ' A' ' 59' ' ' ASP . 74.3 mt-30 -67.6 -37.65 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 30.4 p-10 -64.95 -6.64 8.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.812 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 73' ' ' VAL . 47.8 mm -76.94 127.7 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.325 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -124.37 -38.28 2.44 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.547 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -131.48 177.51 7.44 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.86 0.362 . . . . 1.0 110.398 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.517 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.1 mm -59.75 -46.69 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.346 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.566 ' CA ' HE21 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -53.66 -41.24 66.62 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.42 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -59.44 -44.06 92.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.347 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.81 84.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 64.0 t0 -61.83 -39.84 93.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.664 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.494 HG21 HD11 ' A' ' 64' ' ' ILE . 75.5 t -75.33 -46.38 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.873 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.86 -53.12 50.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.312 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -56.99 -32.78 66.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.696 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.99 91.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.66 -42.34 91.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 1.0 110.933 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.733 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.9 170.78 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 1.0 109.981 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.466 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -66.91 -25.61 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.596 179.548 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.5 -47.46 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.503 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.534 HG21 ' OE2' ' A' ' 75' ' ' GLU . 13.3 m -60.36 -41.11 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.7 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.669 HD11 ' NE2' ' A' ' 68' ' ' GLN . 96.4 mt -59.87 -41.77 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.923 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -61.2 -46.12 91.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -59.51 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.639 -0.424 . . . . 1.0 111.178 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 13' ' ' VAL . 65.6 t -64.43 -44.96 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.048 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 p -65.75 -39.33 90.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.61 -45.76 90.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.27 0.557 . . . . 1.0 110.61 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -71.77 -42.94 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.618 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 9' ' ' VAL . 53.3 t -62.52 -57.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.917 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 16.7 ptmt -52.98 -38.88 62.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.179 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 95.0 mt-10 -70.68 -33.24 70.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -36.73 76.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.544 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -92.49 -10.6 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.921 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -173.8 -161.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.366 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.0 mp -85.98 -22.76 27.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.48 34.37 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.63 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 1.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 23.1 p-10 -93.27 6.35 48.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.76 134.74 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.191 0.52 . . . . 1.0 110.064 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.4 p -109.11 127.88 65.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.047 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -117.29 136.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.643 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -140.64 158.3 44.18 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 -26.35 58.17 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -85.76 -12.86 49.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 p -77.81 139.1 39.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.504 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 97.7 mt-10 -89.55 166.19 13.81 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.149 0.499 . . . . 1.0 110.707 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 59.4 m-85 -72.73 -40.58 65.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.114 0.483 . . . . 1.0 110.754 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -64.42 -44.74 90.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.967 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HG2' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -59.21 -21.51 59.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.506 -179.271 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.95 -7.89 59.62 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.371 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 6.38 56.97 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.42 108.17 0.24 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.883 0.373 . . . . 1.0 110.489 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.409 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 91.3 m-20 -94.98 -176.39 3.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.459 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -64.99 -38.81 92.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.571 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.4 mp -75.54 -21.5 57.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.564 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.409 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 92.7 m-20 -83.71 -50.2 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.883 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.3 m -45.93 -42.65 13.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.587 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.65 -37.28 79.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.227 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.57 -37.69 82.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.589 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 13' ' ' VAL . 47.4 mm -62.78 -48.28 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.775 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.69 -44.83 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.8 ttp -60.61 -44.98 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.408 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -66.03 -47.42 74.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.231 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.664 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.93 -37.32 79.16 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.54 -0.464 . . . . 1.0 110.716 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.58 -37.17 63.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.804 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -67.14 -50.83 59.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -87.97 -2.95 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.491 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.44 53.0 30.33 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.073 -0.811 . . . . 1.0 111.073 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.0 pt -120.13 -168.15 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 120.973 0.416 . . . . 1.0 110.667 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 7.8 p30 -156.4 108.87 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.404 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -133.07 139.66 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.627 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 58.4 t0 -74.08 147.57 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 56.7 mp0 -66.19 -32.69 74.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.653 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 22.1 m-20 -63.94 -40.1 95.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.1 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' C ' ' H ' ' A' ' 62' ' ' GLN . 68.6 mttm -67.35 -41.45 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 17.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.01 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.444 ' H ' ' C ' ' A' ' 60' ' ' LYS . 69.5 mm-40 -70.66 -39.7 73.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.872 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -63.63 -2.78 1.83 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.572 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 73' ' ' VAL . 48.8 mm -79.87 127.03 39.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 1.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.493 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 1.4 m -134.32 -18.77 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.27 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.53 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 33.6 p -137.54 168.87 18.8 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.637 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.508 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 42.5 mm -60.8 -44.87 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.504 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.669 ' NE2' HD11 ' A' ' 6' ' ' ILE . 2.6 mm-40 -54.83 -45.4 74.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.354 -0.538 . . . . 1.0 110.547 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' A' ' 66' ' ' THR . 83.4 mt-30 -58.36 -43.61 88.44 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.116 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.04 97.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.52 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.44 81.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.84 -48.45 81.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.085 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 64' ' ' ILE . 61.1 t -61.68 -45.47 98.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -60.93 -51.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.361 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.534 ' OE2' HG21 ' A' ' 5' ' ' THR . 65.6 mm-40 -48.39 -37.14 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 1.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.74 97.22 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -41.36 96.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 1.0 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.615 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.561 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -77.73 144.3 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.146 0.498 . . . . 1.0 109.925 179.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -18.11 0.29 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.083 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' LYS . 85.4 mt-10 -73.59 -49.05 28.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.69 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.9 m -60.99 -42.36 98.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.611 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.43 HD11 ' NE2' ' A' ' 68' ' ' GLN . 96.7 mt -60.49 -41.58 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.256 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -43.07 95.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.723 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -62.26 -48.44 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.103 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 t -65.46 -46.75 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.258 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 m -59.09 -40.94 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.595 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -61.56 -43.78 98.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.633 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.1 -42.7 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.035 0.445 . . . . 1.0 110.613 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 9' ' ' VAL . 96.7 t -65.11 -50.22 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.745 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -64.87 -37.28 87.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.772 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 18' ' ' ALA . 64.1 mm-40 -70.26 -36.17 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.937 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.1 mmmt -72.03 -35.12 69.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.397 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -93.02 -6.1 49.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.054 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.23 -169.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.457 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.81 -19.62 30.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.532 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.06 -13.62 56.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 1.0 110.737 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -48.75 70.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 1.0 110.708 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 52.3 t0 -106.95 10.83 30.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.622 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -124.8 133.39 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.0 t -121.5 131.02 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.949 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -116.66 133.53 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.111 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -130.68 166.16 21.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.434 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -25.65 63.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.538 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 33.0 t0 -88.35 -8.23 55.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.773 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -76.89 134.66 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.544 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -93.43 141.66 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.019 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.11 -40.93 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.531 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.9 m -60.47 -41.65 94.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.843 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.12 -39.77 83.35 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.708 0.29 . . . . 1.0 110.54 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.57 -16.52 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.365 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.25 3.83 47.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 109.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 1.0 110.381 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 92.6 m-20 -88.97 -175.31 4.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.548 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.91 -49.27 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.539 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.85 -42.14 95.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.679 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 72.7 m-20 -63.3 -44.32 95.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.498 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.0 m -46.09 -39.72 9.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.865 0.364 . . . . 1.0 110.634 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.43 -43.79 94.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.303 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.31 -37.98 85.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.57 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.11 -48.92 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.66 -42.77 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.432 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -56.78 -47.54 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.873 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.614 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.1 m-80 -65.01 -43.19 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.649 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.05 -43.84 94.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 1.0 110.627 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.09 -37.45 77.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.98 -38.48 61.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.985 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' OE1' ' CD2' ' A' ' 52' ' ' PHE . 14.4 tm-20 -67.16 -44.92 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.005 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.429 ' CD2' ' OE1' ' A' ' 51' ' ' GLU . 94.9 m-85 -94.72 -4.24 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.586 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.67 51.17 58.4 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.031 -0.827 . . . . 1.0 111.031 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.454 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 35.6 pt -126.87 -167.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 1.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -146.98 118.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.144 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.91 128.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.411 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -83.16 152.27 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -63.31 -27.88 69.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.365 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.16 -39.53 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -77.95 -14.09 59.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.3 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.605 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -68.5 -52.14 35.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.979 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 64' ' ' ILE . 37.1 p-10 -63.91 -28.69 70.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.736 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 73' ' ' VAL . 50.3 mm -58.8 124.5 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.403 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.432 ' HB2' HE22 ' A' ' 69' ' ' GLN . 67.1 m -134.09 -18.27 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.41 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 p -135.01 167.59 20.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mm -60.92 -43.76 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.615 HE22 ' HB3' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -56.02 -44.98 79.25 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.421 -179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.432 HE22 ' HB2' ' A' ' 65' ' ' SER . 78.6 mt-30 -58.03 -41.07 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.007 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.1 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.65 -37.1 81.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.686 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.73 -44.4 96.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 64' ' ' ILE . 71.0 t -69.9 -43.4 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.389 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.38 -60.42 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.164 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.69 -30.73 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.878 0.37 . . . . 1.0 110.669 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.99 -40.78 95.4 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.63 -41.57 98.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.696 0.284 . . . . 1.0 110.63 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.426 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.464 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.401 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.25 170.47 12.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.295 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.448 ' CD ' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -64.45 -27.9 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.523 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.31 -48.15 74.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.1 m -63.1 -44.09 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.652 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -56.55 -36.46 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.121 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.43 -42.69 98.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -62.23 -53.91 48.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.988 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 13' ' ' VAL . 71.5 t -64.33 -47.28 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.691 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.7 p -61.53 -38.66 88.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.675 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.56 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.499 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.75 -42.32 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.139 0.495 . . . . 1.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 9' ' ' VAL . 68.8 t -60.72 -53.86 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.845 -0.616 . . . . 1.0 112.011 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -63.95 -32.71 74.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.794 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.8 mt-10 -67.64 -36.69 81.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.596 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 17.2 mmmt -74.84 -32.62 61.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 1.0 111.217 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -95.6 -3.5 46.25 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.068 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.27 -172.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.74 -24.19 53.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 4.06 88.69 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.064 -0.814 . . . . 1.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.7 -62.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 1.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -86.05 13.99 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.672 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -119.41 132.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.993 0.425 . . . . 1.0 110.528 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 24' ' ' VAL . 14.6 p -101.48 127.61 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 1.0 110.381 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.28 137.0 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.832 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -141.47 159.49 42.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.785 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -57.05 -30.01 63.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.298 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -80.67 -8.59 59.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 m -71.7 132.34 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.605 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -93.76 147.79 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.458 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.625 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -61.27 -41.65 97.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.68 -39.06 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 34' ' ' LEU . 95.5 mt -65.98 -10.22 37.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.516 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.3 5.78 55.75 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 109.14 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 1.0 110.607 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -89.4 -175.11 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.361 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.01 -47.21 86.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.475 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.11 -42.55 89.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.495 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.51 -45.72 89.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -46.62 -38.08 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.352 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.15 -43.0 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.515 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.94 -36.78 85.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.022 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.21 -51.98 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.231 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.89 -35.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.046 0.451 . . . . 1.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 tpp -61.82 -46.36 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.627 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 3.2 m-80 -67.03 -43.14 83.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.84 -42.76 97.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.482 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -61.06 -38.46 86.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.416 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.08 -36.73 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.057 0.456 . . . . 1.0 111.188 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.16 -49.05 75.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.982 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -94.4 -6.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.38 39.48 97.82 Favored Glycine 0 C--N 1.33 0.242 0 N-CA-C 111.331 -0.708 . . . . 1.0 111.331 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 pt -108.17 -168.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.872 0.368 . . . . 1.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -149.02 125.75 11.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.26 133.18 52.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.7 t0 -77.18 152.83 34.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.435 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.4 tm-20 -65.76 -35.88 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.481 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.22 -40.2 96.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.611 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.6 mttp -67.58 -35.52 79.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.05 0.452 . . . . 1.0 111.045 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.84 8.53 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.918 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.433 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 91.7 mm-40 -71.91 -39.92 69.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -72.04 -0.37 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.535 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.3 mm -88.67 125.12 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 5.7 t -132.88 -22.95 2.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.429 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.459 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 73.6 p -131.05 169.14 16.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.49 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.71 -44.56 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.464 HE22 ' HB3' ' A' ' 1' ' ' ALA . 1.3 mm-40 -54.2 -46.8 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 65' ' ' SER . 83.7 mt-30 -57.01 -44.71 83.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.131 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.51 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.181 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.19 -35.13 73.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.696 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.37 -39.25 89.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.402 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 82.6 t -76.07 -45.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.152 0.501 . . . . 1.0 111.199 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.6 -54.11 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.786 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.9 pp20? -49.43 -36.17 21.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.615 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.55 -42.86 99.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.092 -0.803 . . . . 1.0 111.092 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.97 -39.65 93.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 1.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.551 -179.69 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.658 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.592 ' HZ1' ' HB2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -132.8 161.63 33.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.173 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.575 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -57.62 -27.72 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.434 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -67.48 -51.73 47.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.57 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.517 ' CB ' ' HZ3' ' A' ' 2' ' ' LYS . 80.0 m -61.83 -36.37 80.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.783 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 3' ' ' LYS . 94.0 mt -60.68 -41.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.303 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -41.95 99.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -61.72 -49.95 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.166 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.4 t -65.52 -45.92 91.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -50.04 75.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.872 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 40.8 t0 -48.86 -47.02 43.16 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.482 0.488 . . . . 1.0 110.896 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.89 -42.25 85.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.956 0.408 . . . . 1.0 110.706 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 9' ' ' VAL . 73.0 t -62.87 -49.97 81.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.4 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -68.51 -31.69 71.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.914 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' ALA . 67.5 mt-10 -67.7 -39.96 84.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 1.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -33.0 60.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.001 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 88.1 mt -92.99 -0.93 57.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.819 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.58 -172.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.51 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.93 -25.33 62.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.44 -23.43 25.0 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.05 -32.15 16.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.841 0.353 . . . . 1.0 110.756 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.77 2.76 56.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.723 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.73 150.47 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.8 p -134.4 120.7 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.397 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.31 150.97 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.137 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 28' ' ' ASP . 2.0 p -136.04 166.08 24.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.02 -12.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.366 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 26' ' ' THR . 43.5 t0 -100.6 -9.64 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.686 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -73.76 127.71 33.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.579 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -89.34 141.8 28.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 76.0 m-85 -56.61 -41.27 76.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -59.0 -41.46 87.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.0 -17.32 64.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.504 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.65 8.28 43.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.061 -0.815 . . . . 1.0 111.061 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 108.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 1.0 110.545 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 85.0 m-20 -93.72 -176.59 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.541 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.07 -47.5 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.509 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.9 mt -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.479 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 99.2 m-20 -76.0 -46.88 27.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -44.88 -45.34 10.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.84 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.46 -32.73 51.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.391 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 21.3 tp10 -67.95 -35.14 77.89 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 40' ' ' ASP . 45.5 mm -61.96 -46.96 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.78 -42.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 tpp -56.57 -47.74 78.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.76 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -63.87 -43.18 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.73 -43.2 89.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.927 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' GLY . 91.1 mt-10 -58.93 -41.74 88.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -73.54 -35.33 65.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.842 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.8 -46.17 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.834 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -98.93 -4.68 32.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 1.0 110.651 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 61.38 48.62 84.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.096 -0.802 . . . . 1.0 111.096 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 pt -123.27 162.29 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.297 -0.26 . . . . 1.0 110.297 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -119.86 114.99 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.42 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.91 131.32 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.4 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.86 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.384 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.88 -27.94 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.72 -39.43 94.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.74 -13.41 54.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.41 7.2 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.651 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.481 ' C ' ' H ' ' A' ' 64' ' ' ILE . 99.5 mm-40 -70.09 -41.9 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.853 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.46 1.36 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.4 mm -84.95 130.31 36.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.632 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -129.85 -37.66 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 p -130.04 177.28 7.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.879 0.371 . . . . 1.0 110.4 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.489 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 48.1 mm -59.53 -44.72 93.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.602 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.658 HE22 ' HB3' ' A' ' 1' ' ' ALA . 3.7 mm-40 -56.1 -44.0 78.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.516 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -56.15 -45.05 79.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.268 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.06 90.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.36 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.77 -39.88 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.6 t -76.34 -45.89 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.07 -52.6 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.592 ' HB2' ' HZ1' ' A' ' 2' ' ' LYS . 1.5 pp20? -56.27 -34.6 66.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.08 99.31 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.7 -40.17 92.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.329 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.34 -179.57 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.584 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.447 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -82.49 175.52 10.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.205 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -69.07 -26.43 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.821 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.82 -48.32 59.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.834 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 m -61.11 -44.54 97.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.489 ' CG1' HE21 ' A' ' 68' ' ' GLN . 97.2 mt -56.41 -38.99 58.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.383 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.537 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -61.83 -50.23 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.932 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.1 t -67.49 -46.29 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.554 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.47 -44.4 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.18 -42.82 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.952 0.406 . . . . 1.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.5 t -65.89 -51.04 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.248 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.01 -31.71 72.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.584 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 18' ' ' ALA . 12.0 tm-20 -69.87 -40.84 75.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.66 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -35.24 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.426 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 86.8 mt -86.37 -7.73 58.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.053 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . 175.42 -177.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.485 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.37 -24.36 62.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.659 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.63 -13.65 63.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -50.16 44.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 1.0 110.7 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.5 3.38 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.635 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.423 HG21 ' CB ' ' A' ' 18' ' ' ALA . 77.6 t -118.57 132.01 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.324 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.97 129.94 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.429 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -116.6 136.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.193 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.74 167.07 17.0 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.693 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.2 -22.14 66.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.594 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 52.6 t0 -92.19 -7.55 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.685 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 m -77.75 135.23 37.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.603 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -89.55 142.14 27.94 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -53.77 -40.7 66.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.686 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -62.36 -38.62 90.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -38.19 88.28 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.56 -20.58 66.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 1.0 109.594 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.65 6.82 32.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.31 109.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 1.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 99.3 m-20 -88.0 -176.3 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.94 -49.48 77.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.546 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 12.6 m-20 -65.14 -44.71 87.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.394 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.3 m -46.17 -39.43 9.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.803 0.335 . . . . 1.0 110.537 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.54 -42.47 93.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 81.0 mm-40 -61.5 -39.55 91.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.448 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.58 -47.75 91.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.595 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.9 -43.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.971 0.415 . . . . 1.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 tpp -60.36 -45.6 92.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.891 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.6 m-80 -64.79 -47.37 78.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.799 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.47 -44.18 95.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.85 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.42 -36.94 85.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.907 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -76.21 -37.28 57.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.67 -43.42 69.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.721 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -94.18 -5.9 46.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.9 49.59 65.79 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 pt -121.99 161.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 1.0 110.489 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.48 ' ND2' ' N ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -124.59 122.74 38.41 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.429 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.43 141.32 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.42 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.96 147.26 41.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.788 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.3 -34.69 78.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -62.03 -39.93 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.0 mtpm? -66.74 -41.84 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.75 23.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.874 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 60' ' ' LYS . 80.2 mm-40 -79.28 -35.3 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.614 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.61 -0.98 4.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.37 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 73' ' ' VAL . 48.0 mm -77.15 125.69 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 m -124.52 -36.93 2.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 p -128.74 174.93 9.01 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.92 0.39 . . . . 1.0 110.476 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.92 -43.65 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.752 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.584 HE22 ' HB3' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -57.53 -40.63 79.24 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.63 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -57.82 -44.17 86.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.063 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.34 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.488 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.2 89.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.01 -41.17 99.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.533 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 64' ' ' ILE . 91.9 t -71.54 -43.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.747 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.91 -59.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.212 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -48.21 -32.34 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.502 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.62 90.42 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.72 -39.11 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.854 0.359 . . . . 1.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.043 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.465 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.631 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -69.63 161.72 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.158 0.504 . . . . 1.0 110.035 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.76 -15.11 57.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.637 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 81.7 tt0 -76.75 -46.71 24.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.553 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -60.85 -42.16 97.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.704 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.516 HD11 ' NE2' ' A' ' 68' ' ' GLN . 60.4 mt -58.94 -38.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.501 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -63.51 -38.03 89.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.479 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -64.76 -50.04 68.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.235 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 13' ' ' VAL . 57.4 t -65.84 -45.04 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.482 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -61.1 -38.83 87.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.699 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.644 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.1 mt -71.72 -42.39 70.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.701 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 9' ' ' VAL . 75.2 t -64.77 -51.92 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.198 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.03 -33.44 75.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 1.0 110.682 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 79.3 tt0 -70.56 -39.34 74.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.776 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.61 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.9 mmmt -71.02 -35.68 72.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.49 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.95 -8.73 53.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.97 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.61 -171.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.488 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.4 mp -79.21 -22.85 44.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.403 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.14 -0.86 82.17 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.68 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.717 0.294 . . . . 1.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -97.22 9.69 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG21 ' CB ' ' A' ' 18' ' ' ALA . 69.8 t -119.87 133.8 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.135 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.9 p -112.05 126.83 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.205 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.7 140.0 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -140.8 161.27 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.672 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -23.69 64.01 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.391 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.8 -16.59 31.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.713 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 m -71.76 137.01 47.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.493 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.07 151.62 21.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 56.6 m-85 -58.8 -41.44 86.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -62.04 -40.5 95.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -58.88 -39.81 82.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.796 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.91 -21.56 65.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.634 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.01 -9.96 22.94 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 109.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 1.0 110.433 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.07 -175.09 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.408 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.93 -41.86 92.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' O ' HG12 ' A' ' 42' ' ' VAL . 52.9 mt -65.22 -38.87 91.75 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.527 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.92 -37.45 29.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.539 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.5 m -45.73 -43.6 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.723 0.296 . . . . 1.0 111.007 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 39' ' ' LEU . 8.7 p -66.06 -35.29 74.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.53 -39.17 81.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.773 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -59.84 -51.08 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.945 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.23 -36.71 77.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.614 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.4 tpp -60.85 -48.04 83.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.708 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.61 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.7 m-80 -65.16 -42.54 93.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.672 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.98 -44.69 91.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 1.0 110.931 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.68 -37.07 82.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.648 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.4 -37.14 60.67 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.935 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -66.77 -45.15 79.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.999 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -96.36 -3.54 43.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.42 50.0 61.98 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 HD12 ' A' ' 77' ' ' LEU . 43.3 pt -121.37 178.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 120.881 0.372 . . . . 1.0 110.486 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -142.65 125.59 16.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.479 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.17 139.03 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.426 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -77.13 145.76 37.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.454 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -66.14 -35.13 79.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.438 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -62.9 -34.95 78.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -81.52 -15.08 56.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.573 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.29 15.12 20.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.731 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.17 -38.4 78.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.797 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 35.4 p-10 -63.54 -7.79 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.697 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 73' ' ' VAL . 46.2 mm -75.55 127.22 36.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.456 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 17.1 m -138.76 -19.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 p -137.73 172.63 12.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.931 0.396 . . . . 1.0 110.472 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.497 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 40.4 mm -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.484 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.516 ' NE2' HD11 ' A' ' 6' ' ' ILE . 1.5 mm-40 -55.24 -46.51 76.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.466 -0.493 . . . . 1.0 110.788 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -59.69 -42.92 94.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.06 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.64 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.499 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.74 73.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.897 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.532 0.52 . . . . 1.0 111.022 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 64' ' ' ILE . 79.0 t -69.07 -42.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.623 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 54' ' ' ILE . 55.8 mt -59.09 -55.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.141 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.61 -29.4 17.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 1.0 110.836 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.03 95.04 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.599 HD12 HD12 ' A' ' 54' ' ' ILE . 95.4 mt -66.23 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.628 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.237 -0.653 . . . . 1.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.428 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -82.34 156.93 23.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.743 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -59.21 -21.58 59.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.493 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.86 -44.72 65.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.473 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.9 m -63.31 -44.42 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.75 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.606 HD11 ' NE2' ' A' ' 68' ' ' GLN . 59.0 mt -56.59 -38.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.443 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.37 -40.57 96.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -61.6 -50.26 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.02 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.3 t -65.5 -46.19 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.445 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.6 p -59.21 -40.95 87.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.63 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.37 -46.39 90.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.484 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.11 -43.05 85.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.414 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 9' ' ' VAL . 68.8 t -64.92 -51.68 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.767 -178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -62.54 -36.78 83.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.943 0.402 . . . . 1.0 110.33 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.8 mt-10 -70.26 -38.94 75.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.5 mmmt -69.24 -36.44 77.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.486 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -88.44 -9.79 51.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.173 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 180.0 -170.65 0.15 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.92 -0.312 . . . . 1.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.8 mt -74.4 -23.79 59.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.03 53.09 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.13 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 1.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -97.05 4.34 51.44 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.566 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.61 133.74 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.317 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.9 t -117.86 131.02 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.959 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.46 133.9 61.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.892 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 162.99 26.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.235 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.34 66.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.467 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -88.14 -19.91 26.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.709 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.548 ' OG ' HD21 ' A' ' 34' ' ' LEU . 12.2 t -70.79 136.67 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 1.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -94.72 143.41 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.206 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 78.2 m-85 -50.73 -33.68 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.701 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.28 -45.48 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.896 -0.322 . . . . 1.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.25 -35.28 79.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.62 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 ' OG ' ' A' ' 29' ' ' SER . 54.8 mt -65.48 -20.03 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.428 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.65 0.41 52.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.59 108.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.402 . . . . 1.0 110.449 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -92.74 -166.07 1.46 Allowed 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.287 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -69.0 -40.24 78.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.174 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.1 mm? -66.09 -38.8 89.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.45 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.7 m-20 -77.68 -44.86 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.772 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.8 m -46.0 -41.57 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.026 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -70.34 -32.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.32 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' ASP . 96.0 mt-10 -70.48 -37.18 74.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.771 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.33 -51.03 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.962 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 46' ' ' MET . 7.5 p -65.98 -40.71 88.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.507 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.436 ' N ' HG13 ' A' ' 45' ' ' VAL . 53.0 ttm -55.97 -48.51 75.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.408 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.6 m-80 -65.08 -42.69 93.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.696 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.69 -41.94 95.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 1.0 110.581 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLY . 93.3 mt-10 -60.12 -42.25 94.36 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -74.26 -39.28 63.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.992 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.8 tm-20 -67.86 -42.32 81.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.94 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 73.6 m-85 -95.84 -7.24 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.522 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 60.27 47.31 91.73 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.43 163.42 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.649 0.262 . . . . 1.0 110.423 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.614 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -120.39 112.61 19.21 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.401 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.84 132.89 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.867 0.365 . . . . 1.0 110.023 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -82.27 150.68 27.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.283 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.35 -33.6 76.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 48.4 p-10 -62.9 -35.51 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.97 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.6 mptt -81.79 -14.36 56.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.861 0.362 . . . . 1.0 110.11 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.93 7.88 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -68.41 -38.15 81.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.902 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 27.3 p-10 -65.08 -6.76 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.38 125.29 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.449 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.3 p -120.44 -44.29 2.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.397 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.6 p -127.53 176.81 7.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.799 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.507 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 38.6 mm -58.97 -45.47 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.131 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.606 ' NE2' HD11 ' A' ' 6' ' ' ILE . 5.8 mm-40 -53.68 -41.68 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.571 -0.451 . . . . 1.0 110.108 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -59.27 -45.08 92.2 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.229 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.21 -41.72 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.489 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.72 -36.28 82.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.749 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.29 -39.44 92.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.37 -45.29 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.81 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.52 -56.8 14.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.184 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.457 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.22 -33.23 8.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.18 97.59 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.2 mt -64.13 -42.53 96.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 1.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.538 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.487 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -79.73 171.16 15.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.243 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -66.19 -29.64 69.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.456 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -64.73 -51.04 64.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.807 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -59.18 -41.04 87.51 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.878 0.37 . . . . 1.0 110.582 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.14 -41.69 90.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.223 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.46 -41.15 93.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.599 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -63.08 -47.79 81.38 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.981 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.7 t -65.45 -45.99 91.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.793 0.33 . . . . 1.0 110.201 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.5 p -61.85 -39.6 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.349 . . . . 1.0 110.525 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.13 -44.53 96.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.786 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.04 -44.01 81.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.161 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 9' ' ' VAL . 93.9 t -63.64 -55.63 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -53.71 -35.39 61.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.7 mm-40 -72.97 -39.25 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.903 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' ' HZ1' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -67.41 -37.75 83.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.732 -179.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -88.99 -12.36 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.479 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.47 -161.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 1.0 110.32 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 19' ' ' LEU . 10.3 mp -80.93 -22.94 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.824 0.345 . . . . 1.0 110.276 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.97 -6.88 79.89 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.65 -42.43 14.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 1.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -101.65 11.91 38.08 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.3 t -123.47 133.29 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 1.0 110.225 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.26 126.19 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.055 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.89 137.96 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -138.23 163.17 32.41 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.482 ' HB1' ' HG2' ' A' ' 68' ' ' GLN . . . -64.75 -15.63 61.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.814 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -100.32 -7.95 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -76.56 129.17 36.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.005 0.431 . . . . 1.0 110.828 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -82.21 147.3 29.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.844 -0.617 . . . . 1.0 110.396 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 67' ' ' ILE . 57.1 m-85 -60.61 -42.44 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.735 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.7 m -59.79 -40.9 89.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.753 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.14 -37.47 85.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.964 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.02 -21.29 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.396 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.56 -2.21 34.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.308 -0.717 . . . . 1.0 111.308 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.86 108.87 0.31 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.054 0.454 . . . . 1.0 110.495 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 98.7 m-20 -92.05 -176.03 4.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.195 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.66 -45.28 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.651 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -66.44 -35.45 80.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 1.0 110.322 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 98.6 m-20 -80.06 -51.6 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -48.17 -43.84 31.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.829 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.86 -32.68 59.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.036 0.446 . . . . 1.0 109.839 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.63 -33.74 71.33 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.317 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -60.8 -50.91 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.179 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.93 -34.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.32 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.4 tpp -60.0 -48.49 81.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.238 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -65.79 -42.35 90.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.021 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.11 -42.18 96.98 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.89 -39.61 85.9 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.016 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.56 -40.98 63.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.22 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -71.05 -41.77 70.32 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 1.0 110.915 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -90.39 -6.95 54.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.18 48.11 87.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.516 -0.634 . . . . 1.0 111.516 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.5 pt -130.87 -174.22 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.905 0.383 . . . . 1.0 110.756 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -148.11 124.04 10.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.304 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.02 137.73 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.985 0.421 . . . . 1.0 110.531 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' H ' ' HE2' ' A' ' 60' ' ' LYS . 44.0 t0 -79.3 153.19 30.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.531 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.0 -34.59 78.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.581 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -60.29 -44.46 95.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.489 ' C ' ' H ' ' A' ' 62' ' ' GLN . 28.7 mtmm -66.12 -40.81 90.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.555 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.48 24.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.157 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.93 -32.84 40.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.718 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.38 -8.52 40.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.642 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 73' ' ' VAL . 32.3 mm -71.74 130.09 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.649 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -130.2 -30.64 1.94 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.489 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.9 p -128.68 174.87 9.04 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.003 0.43 . . . . 1.0 110.362 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 31' ' ' PHE . 6.8 mm -61.51 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.915 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.661 ' C ' HE21 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -64.55 -33.09 75.11 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.919 -0.582 . . . . 1.0 111.126 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.588 ' N ' ' NE2' ' A' ' 68' ' ' GLN . 44.6 mm-40 -53.23 -45.91 68.92 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 119.844 -0.743 . . . . 1.0 109.128 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.7 81.76 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.946 -0.761 . . . . 1.0 108.946 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.93 82.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.287 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.9 -42.68 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.781 0.324 . . . . 1.0 111.162 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 64' ' ' ILE . 80.3 t -63.55 -43.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.596 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.0 -46.7 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.613 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -54.89 -36.52 65.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.975 0.417 . . . . 1.0 110.469 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.45 98.88 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.054 -0.818 . . . . 1.0 111.054 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -40.9 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.673 0.273 . . . . 1.0 110.645 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp -62.67 -40.68 97.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.076 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.06 -34.14 77.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.591 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -61.32 -45.76 93.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.808 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -84.23 146.52 27.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.447 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.687 179.686 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.466 ' C39' ' O35' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.508 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.48 166.89 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.171 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.578 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.13 -43.3 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.585 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.9 m -61.25 -44.69 96.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.598 HD11 HE21 ' A' ' 68' ' ' GLN . 56.0 mt -61.94 -43.62 97.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.239 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.04 -42.36 99.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -63.45 -51.6 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.184 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 87.4 t -64.6 -46.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.608 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -59.37 -42.83 92.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.85 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.95 -46.21 90.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.08 0.467 . . . . 1.0 110.953 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.86 -43.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 9' ' ' VAL . 50.7 t -58.56 -55.07 25.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.376 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ALA . 2.2 pttm -64.15 -29.62 70.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 123.547 0.53 . . . . 1.0 110.487 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.1 tt0 -62.32 -39.7 93.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.244 0.545 . . . . 1.0 110.384 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 10.1 mtpp -75.29 -32.7 61.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.112 0.482 . . . . 1.0 110.61 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 mt -95.46 -6.73 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.79 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -174.25 -167.68 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.563 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.5 mm? -86.0 -23.5 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.8 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.86 7.64 86.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.11 -62.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 1.0 110.575 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -91.7 14.07 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.541 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -113.25 133.3 59.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.07 0.462 . . . . 1.0 110.272 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.0 t -110.9 133.73 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.09 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.6 t -116.43 141.08 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.756 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -135.1 155.56 50.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.435 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -26.48 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.89 -7.05 57.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 p -72.71 134.95 45.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.939 0.4 . . . . 1.0 110.577 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -93.97 143.41 26.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.327 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 64.7 m-85 -55.06 -31.16 60.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.726 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -59.03 -46.06 89.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.763 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 10.8 mptt -63.36 -37.1 85.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.689 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.1 -18.36 65.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.406 0.441 . . . . 1.0 110.32 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.29 44.27 5.05 Favored Glycine 0 N--CA 1.461 0.33 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.62 107.2 19.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 1.0 110.291 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.464 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 97.6 m-20 -90.32 -179.02 5.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.46 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.29 -44.84 92.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.13 -39.61 82.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.605 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.464 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 14.7 m-20 -74.29 -49.43 23.11 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 37' ' ' ASP . 8.0 p -48.54 -39.33 23.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.434 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.568 ' O ' ' SD ' ' A' ' 46' ' ' MET . 41.5 t -64.14 -47.1 91.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.301 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 93.6 mt-10 -55.87 -30.94 62.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 1.0 110.51 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.36 -42.62 87.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.81 -55.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.298 -178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.568 ' SD ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -61.68 -38.85 89.29 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.1 m-80 -62.95 -50.08 72.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.8 -43.72 71.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.753 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.22 -37.57 77.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -74.51 -35.82 63.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -66.27 -44.1 84.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.75 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -98.31 -0.45 43.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.57 53.7 27.73 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.3 pt -123.02 162.56 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 1.0 110.497 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -123.47 122.0 37.13 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.418 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.94 141.53 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.67 143.27 40.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.608 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 55.6 mp0 -66.86 -32.18 73.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.58 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -65.49 -29.29 69.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.526 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -82.0 -14.38 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.644 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.25 16.17 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.55 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.43 ' OE1' ' O40' ' A' ' 101' ' ' PNS . 96.9 mm-40 -71.53 -37.6 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.799 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.61 -2.73 5.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.407 HD11 HG21 ' A' ' 73' ' ' VAL . 51.4 mm -75.64 128.12 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.703 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -129.5 -40.99 1.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.372 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -123.72 176.78 6.05 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.919 0.39 . . . . 1.0 110.441 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.413 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 43.9 mm -60.39 -46.65 94.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.598 HE21 HD11 ' A' ' 6' ' ' ILE . 3.0 mm-40 -54.79 -40.59 69.62 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.577 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -58.64 -46.27 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.166 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.88 90.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.521 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.97 85.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.604 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.45 -40.33 94.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.008 0.432 . . . . 1.0 110.525 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.407 HG21 HD11 ' A' ' 64' ' ' ILE . 82.0 t -74.36 -44.68 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.649 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.89 -53.91 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.228 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.09 -36.89 66.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.493 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.07 98.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.14 -39.38 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.94 0.4 . . . . 1.0 110.847 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.5 -39.81 92.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.613 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -53.36 -27.95 26.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -61.47 -45.36 94.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.516 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -88.44 145.56 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.554 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.959 -1.019 . . . . 1.0 110.571 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.506 ' C34' ' N41' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.519 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.572 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -73.74 164.53 26.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.099 0.476 . . . . 1.0 109.922 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -65.53 -14.26 60.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.52 -0.764 . . . . 1.0 110.686 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 81.5 tt0 -77.88 -46.66 20.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.616 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m -60.95 -40.85 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.63 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.544 HD11 ' NE2' ' A' ' 68' ' ' GLN . 96.4 mt -59.75 -42.01 87.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.251 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.23 -41.44 96.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -62.33 -48.63 78.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.37 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.2 t -65.26 -46.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.0 p -62.93 -36.16 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 1.0 110.595 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.22 -43.5 97.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.647 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mt -72.47 -42.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 1.0 110.848 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' VAL . 75.7 t -63.82 -49.94 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.438 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -63.8 -31.92 73.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 1.0 110.662 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.9 tp10 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.847 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -34.74 69.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.505 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD21 ' OD2' ' A' ' 40' ' ' ASP . 83.8 mt -88.13 -7.38 57.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.026 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 23' ' ' VAL . . . 176.59 -176.02 0.13 Allowed 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 120.918 0.39 . . . . 1.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.4 mm? -76.35 -22.92 54.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.587 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 -14.57 62.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.09 -49.76 54.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.929 0.395 . . . . 1.0 110.704 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -100.64 6.67 44.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 18' ' ' ALA . 76.0 t -122.78 134.23 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.195 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' VAL . 10.7 p -122.15 132.39 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.88 136.15 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.176 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -130.72 162.94 28.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.511 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.5 66.14 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.423 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 57.9 t0 -86.28 -16.95 35.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.642 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -71.59 141.64 50.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.636 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -100.11 141.89 32.33 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.241 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 63.5 m-85 -49.97 -41.39 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.696 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.96 -41.61 96.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.08 -37.8 86.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.804 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.64 -21.65 66.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.589 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.83 6.13 37.9 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.96 108.57 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.346 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' A' ' 38' ' ' SER . 32.2 t70 -91.42 -176.33 4.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.543 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -63.13 -39.64 95.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.634 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 42' ' ' VAL . 55.0 mt -63.58 -40.79 97.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.606 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' OD2' HD21 ' A' ' 17' ' ' LEU . 9.3 t70 -79.2 -34.53 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.757 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -45.39 -40.51 8.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.8 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 39' ' ' LEU . 3.5 p -66.91 -35.99 76.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.977 0.418 . . . . 1.0 110.625 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.519 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 96.1 mt-10 -68.25 -37.67 80.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.432 HD11 ' OD2' ' A' ' 40' ' ' ASP . 37.7 mm -62.76 -48.7 86.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.71 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.85 -44.33 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.636 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.7 ttm -58.16 -45.91 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.774 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 3.1 m-80 -63.52 -44.01 95.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.891 0.377 . . . . 1.0 110.698 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.4 mt -66.04 -42.02 90.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.037 0.446 . . . . 1.0 110.857 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -57.91 -40.21 79.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.72 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -72.35 -39.23 68.26 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -67.83 -45.78 73.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.886 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -90.87 -5.22 55.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.561 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.97 52.44 46.72 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 pt -126.3 -172.41 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 1.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -151.67 112.13 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.412 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.16 138.78 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.592 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -76.7 146.59 37.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -62.97 -34.64 77.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.439 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 96.3 m-20 -61.68 -40.86 96.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.487 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.4 mtpm? -66.3 -41.4 89.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.879 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.53 26.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.028 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 60' ' ' LYS . 70.6 mm-40 -79.91 -28.57 39.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.716 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -75.67 -2.77 31.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.571 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 73' ' ' VAL . 47.1 mm -77.26 129.07 37.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 32.2 t -129.77 -27.35 2.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.8 p -133.62 173.76 11.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.529 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.525 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.9 mm -61.88 -44.0 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.368 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.544 ' NE2' HD11 ' A' ' 6' ' ' ILE . 1.4 mm-40 -55.65 -47.0 77.4 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.606 -0.438 . . . . 1.0 110.745 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.534 ' OE1' ' N ' ' A' ' 65' ' ' SER . 80.7 mt-30 -55.78 -41.81 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.093 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.74 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.468 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.71 86.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.771 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.53 -42.91 99.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 64' ' ' ILE . 81.1 t -69.63 -44.5 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.583 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.27 -60.7 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.264 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.79 -31.07 25.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.662 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.66 -32.35 83.17 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.75 -0.94 . . . . 1.0 110.75 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 81' ' ' LYS . 85.2 mt -72.81 -39.06 66.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.787 0.327 . . . . 1.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.0 mm? -60.78 -43.5 98.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.922 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.65 -38.31 80.35 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.713 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -128.38 61.61 1.47 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.608 0.718 . . . . 1.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' LEU . 48.6 mtpt -60.35 146.06 45.59 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 114.994 -1.003 . . . . 1.0 110.374 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.063 -0.97 . . . . 1.0 110.52 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.528 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 168.67 19.21 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.318 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -61.93 -29.84 70.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.596 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -67.49 -49.89 61.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.532 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 m -60.34 -42.77 96.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.771 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.538 HD11 ' NE2' ' A' ' 68' ' ' GLN . 96.5 mt -58.89 -39.69 78.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.102 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -60.74 -43.4 97.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.479 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -60.78 -52.4 65.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 t -65.75 -45.29 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.396 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 t -61.66 -41.14 97.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.633 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -60.27 -43.85 95.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.579 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -42.83 78.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.098 0.475 . . . . 1.0 110.595 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 9' ' ' VAL . 69.0 t -64.98 -50.68 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.21 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.0 -35.79 81.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.617 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.4 mt-10 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.667 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 17.0 mmmt -71.35 -36.08 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.125 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.76 -14.26 42.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.854 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -175.7 -157.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.993 0.425 . . . . 1.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.5 mt -84.78 -17.93 36.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.47 -22.77 33.48 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.6 -39.22 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 1.0 110.607 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 48.1 t0 -84.83 -3.57 58.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.496 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.1 151.19 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.39 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -121.74 127.96 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.097 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.0 t -116.5 134.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.608 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -136.14 163.18 30.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.609 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.32 63.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 51.1 t0 -88.42 -17.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.607 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 p -71.65 143.32 49.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.607 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -99.99 145.85 27.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.375 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 70.1 m-85 -53.64 -42.71 68.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.768 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.4 m -61.61 -41.87 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.39 -38.24 88.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.893 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.96 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.68 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.33 -9.17 30.9 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.99 109.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 1.0 110.533 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.2 t0 -91.84 -171.51 2.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.954 0.406 . . . . 1.0 110.504 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.562 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -62.96 -40.17 96.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.505 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.3 mp -69.11 -40.34 78.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.03 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.46 -42.76 67.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.278 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -45.88 -32.25 2.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.513 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.1 t -67.16 -43.19 88.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.187 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 14.0 mp0 -68.31 -36.95 80.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -62.99 -52.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.029 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 46' ' ' MET . 12.9 p -67.95 -42.38 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.51 ' N ' HG13 ' A' ' 45' ' ' VAL . 54.6 ttm -59.0 -45.09 91.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.518 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -65.76 -43.27 89.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.765 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.1 -43.26 95.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.743 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.07 -37.5 80.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.826 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -74.93 -36.77 62.13 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -65.83 -44.33 85.89 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.595 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -97.76 -2.59 40.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.617 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.11 52.8 44.57 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.0 pt -125.45 152.55 32.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.76 0.314 . . . . 1.0 110.389 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -111.23 114.29 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.583 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.58 132.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.567 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -81.29 142.52 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.465 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -60.82 -26.78 67.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.74 -40.26 91.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.363 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.63 -13.0 58.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.42 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.92 7.96 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.627 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -69.51 -39.81 77.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.955 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 53.6 t0 -65.06 -7.91 14.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.467 HD11 HG21 ' A' ' 73' ' ' VAL . 40.0 mm -79.8 130.76 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.72 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.54 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 16.5 m -139.03 -24.2 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.525 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.8 p -132.94 171.48 13.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.516 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 46.4 mm -60.94 -43.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.629 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.538 ' NE2' HD11 ' A' ' 6' ' ' ILE . 2.0 mm-40 -56.08 -47.0 78.82 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.765 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.54 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -57.38 -42.09 81.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.071 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.9 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.36 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.62 71.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 1.0 110.704 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -61.5 -38.32 86.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.536 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.467 HG21 HD11 ' A' ' 64' ' ' ILE . 77.2 t -76.48 -45.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.74 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.76 -55.59 22.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.041 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.8 pp20? -48.68 -36.34 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.565 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.444 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.38 -40.96 98.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.439 HD23 ' NZ ' ' A' ' 80' ' ' LYS . 68.5 mt -65.67 -42.58 91.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.635 0.255 . . . . 1.0 110.722 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 78' ' ' LEU . 9.6 mp -60.74 -41.79 96.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.433 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.21 -35.7 81.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.505 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' NZ ' HD23 ' A' ' 77' ' ' LEU . 8.0 ttpm? -61.4 -45.73 93.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.652 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 78' ' ' LEU . 57.5 pttt -97.89 160.31 14.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.615 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.022 -0.99 . . . . 1.0 110.658 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.434 ' O27' ' C34' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.597 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.057 -0.72 . . . . 1.0 109.057 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -81.84 159.31 23.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.902 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.53 -16.68 61.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.462 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 9.3 tm-20 -75.16 -44.84 44.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 1.0 110.661 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.1 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.692 HD11 ' NE2' ' A' ' 68' ' ' GLN . 57.1 mt -60.38 -42.9 92.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.159 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.42 -39.99 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.489 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -63.92 -53.02 57.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 1.0 111.263 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 13' ' ' VAL . 55.0 t -63.52 -44.79 98.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.242 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.3 p -59.57 -40.51 87.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 1.0 110.576 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.19 -43.18 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.333 0.587 . . . . 1.0 110.679 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.9 mt -68.66 -41.96 82.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.371 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 9' ' ' VAL . 85.3 t -66.04 -54.69 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.088 -0.505 . . . . 1.0 112.044 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -58.64 -37.13 75.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.936 0.398 . . . . 1.0 110.732 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 18' ' ' ALA . 93.7 mt-10 -72.13 -35.69 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.546 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 17.7 mmmt -71.83 -35.66 69.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.541 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -89.12 -12.54 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.011 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.52 -162.26 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 1.0 110.493 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.9 mt -77.51 -23.02 50.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.615 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.85 -23.18 37.12 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.16 -29.18 17.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.753 0.311 . . . . 1.0 110.808 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.17 -1.19 57.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.97 152.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -127.4 126.35 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.052 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 p -119.26 140.9 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.246 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.409 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.4 p -133.63 161.9 33.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.522 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -57.39 -23.55 49.93 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.174 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -94.97 -9.04 35.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.792 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.409 ' HB3' ' H ' ' A' ' 26' ' ' THR . 39.9 t -74.2 137.7 43.26 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.781 0.324 . . . . 1.0 110.461 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -90.55 147.7 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 62.6 m-85 -59.72 -39.85 86.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.571 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.56 -37.07 84.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.739 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -63.03 -39.99 96.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.59 -16.2 64.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.295 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.42 -1.39 37.16 Favored Glycine 0 N--CA 1.464 0.556 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.85 108.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.904 -0.318 . . . . 1.0 110.329 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' A' ' 38' ' ' SER . 42.4 t0 -94.4 -172.84 2.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.079 0.466 . . . . 1.0 110.473 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.558 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.13 -31.72 71.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.66 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.9 m-20 -81.75 -47.63 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.996 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 37' ' ' ASP . 3.3 p -45.65 -40.75 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.045 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.83 -33.95 58.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.303 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ASP . 94.4 mt-10 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.675 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.29 -46.43 95.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.573 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.6 -43.57 83.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.17 -47.28 78.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.802 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.546 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 1.5 m-80 -64.07 -42.84 96.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.713 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.3 mt -65.1 -42.18 94.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.843 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -58.42 -39.86 80.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.726 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -75.2 -36.11 61.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 14.0 tm-20 -65.97 -44.7 84.19 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.098 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' CG ' ' OE1' ' A' ' 51' ' ' GLU . 96.5 m-85 -98.54 -5.81 31.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.498 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.65 45.68 95.29 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.255 -0.738 . . . . 1.0 111.255 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.05 -168.13 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.82 0.343 . . . . 1.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.27 124.7 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.2 131.34 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.578 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 54.8 t0 -78.68 150.65 32.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 98.4 mt-10 -62.44 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -63.09 -41.61 99.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.785 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.9 mttp -66.39 -39.27 88.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.745 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.51 23.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 1.0 111.145 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' H ' ' C ' ' A' ' 60' ' ' LYS . 83.9 mm-40 -82.94 -31.07 27.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.14 1.08 29.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.704 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.509 HD11 HG21 ' A' ' 73' ' ' VAL . 48.7 mm -85.95 126.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.04 0.447 . . . . 1.0 110.515 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.525 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 3.1 m -133.2 -17.91 2.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.888 -0.597 . . . . 1.0 110.279 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 23.2 p -137.76 168.75 19.04 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.926 0.393 . . . . 1.0 110.362 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.473 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 6.0 mm -61.84 -43.57 97.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.596 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.692 ' NE2' HD11 ' A' ' 6' ' ' ILE . 2.2 mm-40 -56.28 -44.33 79.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 66' ' ' THR . 86.2 mt-30 -58.71 -40.96 85.22 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.973 -0.38 . . . . 1.0 109.973 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.83 94.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.6 78.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -61.95 -41.33 97.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.714 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.509 HG21 HD11 ' A' ' 64' ' ' ILE . 92.7 t -73.13 -44.38 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.613 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.5 -58.71 6.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.44 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.0 -31.53 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.61 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -42.3 99.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.697 -0.961 . . . . 1.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.0 -41.39 95.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 1.0 110.729 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 78' ' ' LEU . 9.7 mp -60.67 -41.85 95.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.441 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.42 -34.25 77.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.384 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 81' ' ' LYS . 17.4 ttmm -74.83 -72.73 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.029 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 82' ' ' ALA . 24.2 mmtp 43.57 -169.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.972 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.098 -0.954 . . . . 1.0 110.473 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.412 ' O40' ' S44' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.578 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -75.96 166.97 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.059 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.696 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.627 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -60.9 -45.76 93.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 1.0 110.887 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.549 HD11 ' NE2' ' A' ' 68' ' ' GLN . 69.1 mt -56.87 -36.14 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.5 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -64.02 -39.33 93.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.621 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -65.45 -52.41 53.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.04 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 13' ' ' VAL . 10.8 t -65.71 -46.31 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.7 p -60.99 -38.09 84.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.677 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -62.88 -43.73 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.469 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.8 -43.53 69.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.858 0.361 . . . . 1.0 110.74 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 9' ' ' VAL . 69.5 t -62.74 -51.4 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.421 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -64.29 -32.68 74.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.935 0.398 . . . . 1.0 110.775 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' A' ' 18' ' ' ALA . 49.4 tp10 -73.74 -39.55 64.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.743 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -32.98 65.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.411 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 84.0 mt -93.78 -0.8 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.001 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 175.62 -172.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.515 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.5 mp -72.43 -24.59 61.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.446 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.14 -22.63 38.61 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.17 -29.22 15.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.701 0.286 . . . . 1.0 110.769 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -96.1 8.4 43.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.731 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.5 p -132.38 151.02 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.36 121.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.105 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 p -117.66 136.38 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.655 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -139.68 159.34 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -25.07 60.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.291 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 45.9 t0 -89.39 -10.37 46.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.606 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.6 p -76.2 139.89 41.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.568 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' H ' ' HE2' ' A' ' 33' ' ' LYS . 96.8 mt-10 -94.03 148.89 21.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.289 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 82.5 m-85 -58.25 -34.63 70.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -60.72 -44.26 96.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HE2' ' H ' ' A' ' 30' ' ' GLU . 52.9 mtmt -61.85 -36.26 80.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.781 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.67 -14.94 63.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.776 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 -1.97 52.09 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.62 108.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.544 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.541 ' CG ' ' H ' ' A' ' 38' ' ' SER . 26.0 t70 -91.58 -173.61 3.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.466 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.541 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.68 -46.99 87.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.467 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' O ' ' OE2' ' A' ' 43' ' ' GLU . 53.4 mt -67.04 -42.07 85.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.73 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 93.6 m-20 -63.46 -41.85 98.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -45.75 -38.38 6.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.705 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.77 -42.75 89.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.466 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -62.53 -37.58 86.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.373 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.02 -48.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.55 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.93 -42.58 85.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.366 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 tpp -58.24 -47.83 82.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.73 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.5 m-80 -62.93 -43.92 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.537 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.0 mt -64.45 -43.28 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 1.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -58.45 -40.43 82.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -75.23 -36.52 61.31 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.793 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -66.55 -45.9 77.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.921 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -97.43 -2.0 43.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.686 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.4 48.27 76.94 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -121.19 -167.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.694 0.283 . . . . 1.0 110.357 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -142.89 115.29 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.0 t -128.25 131.89 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.286 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.0 t0 -102.01 152.88 20.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.283 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 81.4 tt0 -58.2 -37.63 75.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.292 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.7 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 98.0 m-20 -67.4 -20.02 65.48 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.617 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.642 ' C ' HE22 ' A' ' 62' ' ' GLN . 98.3 mttt -96.46 -19.57 19.05 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 123.354 0.409 . . . . 1.0 110.926 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.79 19.5 20.39 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.216 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.982 ' NE2' ' H ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -74.11 -26.53 60.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.973 -179.424 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.527 ' N ' ' OE1' ' A' ' 62' ' ' GLN . 25.4 t70 -80.44 2.1 26.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.522 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 73' ' ' VAL . 50.3 mm -78.4 127.88 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.384 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 t -125.24 -40.45 2.13 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 p -128.89 169.33 14.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.542 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 44.7 mm -53.51 -44.77 57.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.335 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.549 ' NE2' HD11 ' A' ' 6' ' ' ILE . 3.5 mm-40 -55.51 -42.39 74.43 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.384 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -58.29 -46.21 86.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.199 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 64' ' ' ILE . . . -66.05 -39.19 89.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.0 82.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -60.87 -45.53 94.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.875 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 64' ' ' ILE . 54.1 t -62.44 -45.42 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.467 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.28 -48.48 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.308 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -47.87 -36.39 12.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 1.0 110.632 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.06 -43.55 99.29 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.25 -43.07 99.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 1.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 78' ' ' LEU . 10.7 mp -61.31 -40.13 93.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.331 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.04 -41.69 63.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.622 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 82' ' ' ALA . 62.4 mttp -74.18 -51.25 16.09 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.182 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp 39.48 -92.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.938 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 80' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.551 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.522 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 1.0 109.221 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.58 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -74.26 149.42 40.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.117 0.484 . . . . 1.0 109.864 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.536 ' CD ' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -53.51 -22.27 7.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.529 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -72.37 -46.84 53.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.631 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -60.59 -43.08 97.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.643 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.69 ' CD1' HE21 ' A' ' 68' ' ' GLN . 56.3 mt -55.79 -39.83 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.359 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.674 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -63.84 -46.58 84.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.035 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 13' ' ' VAL . 89.8 t -64.0 -45.73 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.589 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -62.04 -47.21 85.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.998 -0.281 . . . . 1.0 110.647 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -50.43 -45.54 55.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.712 0.632 . . . . 1.0 110.727 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.13 -42.66 81.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.743 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 9' ' ' VAL . 84.7 t -64.29 -50.95 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.724 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -64.41 -34.61 78.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.886 0.374 . . . . 1.0 110.864 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 18' ' ' ALA . 47.5 mm-40 -67.77 -36.83 81.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.29 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.684 ' NZ ' HD21 ' A' ' 47' ' ' ASN . 18.8 mmmt -72.63 -35.76 67.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -89.81 -12.59 38.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.719 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -174.13 -152.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 53.5 mt -94.98 -22.04 18.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.94 -18.54 55.74 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.09 -32.15 18.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.692 0.282 . . . . 1.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -94.78 -3.38 49.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' VAL . 14.6 p -132.1 154.42 40.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.419 ' N ' HG22 ' A' ' 23' ' ' VAL . 11.3 p -126.72 130.54 71.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.172 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -116.73 134.89 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.193 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -131.96 162.06 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.444 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.15 -24.5 54.68 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.559 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 39.3 t0 -88.66 -8.04 55.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 m -77.54 134.26 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.778 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -93.0 143.4 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.1 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 60.7 m-85 -55.74 -41.6 74.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.761 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -61.49 -39.16 89.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -62.14 -39.92 94.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.15 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.8 mt -66.29 -16.22 63.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.625 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.04 -7.57 33.05 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.05 -0.82 . . . . 1.0 111.05 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.28 109.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.846 -0.342 . . . . 1.0 110.4 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.566 ' CG ' ' H ' ' A' ' 38' ' ' SER . 41.6 t0 -92.9 -171.21 2.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.541 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.566 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -60.52 -45.73 92.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' OE1' ' A' ' 43' ' ' GLU . 83.3 mt -66.13 -39.26 89.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.007 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -73.15 -47.23 45.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.64 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -47.36 -34.5 7.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.099 0.476 . . . . 1.0 110.605 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -64.66 -40.75 90.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.901 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 4.4 mp0 -68.02 -30.18 69.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.895 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.42 -46.19 80.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.173 -0.467 . . . . 1.0 112.186 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' CG2' ' OE2' ' A' ' 49' ' ' GLU . 2.1 p -61.59 -49.07 85.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.943 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.437 ' HG3' HD22 ' A' ' 47' ' ' ASN . 20.8 ptp -62.59 -38.74 91.3 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.951 -0.299 . . . . 1.0 111.12 -179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.684 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 2.9 m-80 -62.26 -43.48 98.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.387 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.94 -43.11 72.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.075 0.464 . . . . 1.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' OE2' ' CG2' ' A' ' 45' ' ' VAL . 92.7 mt-10 -57.91 -36.79 72.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.795 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -73.05 -38.77 66.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.743 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -69.74 -45.96 66.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.919 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -86.49 -7.26 58.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.518 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.02 48.49 85.64 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.285 -0.726 . . . . 1.0 111.285 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 pt -126.15 -167.11 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.79 0.329 . . . . 1.0 110.427 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -149.48 117.36 6.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.426 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.7 t -127.68 131.35 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.36 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -74.29 148.15 41.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.334 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.03 -36.38 83.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.559 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.82 -40.51 97.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.565 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 62' ' ' GLN . 98.4 mttt -66.72 -39.84 88.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 1.0 110.858 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 16.75 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.196 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 60' ' ' LYS . 86.5 mm-40 -78.03 -39.27 42.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -66.3 -17.86 65.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 73' ' ' VAL . 48.3 mm -66.09 128.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.351 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 19.9 m -130.97 -23.77 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.427 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 p -134.64 172.08 13.44 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.87 0.367 . . . . 1.0 110.431 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.418 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 5.7 mm -62.42 -43.45 98.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.624 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.69 HE21 ' CD1' ' A' ' 6' ' ' ILE . 1.8 mm-40 -56.72 -44.51 81.66 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.54 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.0 mt-30 -57.7 -41.43 81.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.954 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.55 89.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.502 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.62 81.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.98 -42.73 99.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.64 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 64' ' ' ILE . 70.9 t -69.39 -43.71 80.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.565 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.34 -60.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.311 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.1 -34.68 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.735 0.303 . . . . 1.0 110.742 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.3 -41.06 96.67 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.8 mt -64.22 -40.71 96.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.868 0.366 . . . . 1.0 110.704 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? -61.43 -40.43 94.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.434 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.44 -33.52 63.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.632 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -61.48 -31.09 71.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.517 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -72.6 -169.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.534 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.957 -1.02 . . . . 1.0 110.63 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.526 ' O40' ' N36' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.474 ' CG ' ' H ' ' A' ' 5' ' ' THR . 16.7 ptmt -136.91 170.12 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.485 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -63.91 -31.98 73.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.677 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -69.39 -46.97 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.735 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.474 ' H ' ' CG ' ' A' ' 2' ' ' LYS . 99.3 m -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.4 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.095 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.2 -42.56 98.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.731 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -63.38 -49.4 73.98 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.694 -0.402 . . . . 1.0 111.09 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.8 t -66.36 -45.64 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 1.0 109.953 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -61.43 -38.07 85.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.791 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.7 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.994 0.426 . . . . 1.0 110.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.8 mt -71.78 -42.9 70.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.725 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 9' ' ' VAL . 72.5 t -63.72 -50.9 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.687 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -62.87 -33.81 76.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.93 0.395 . . . . 1.0 110.409 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 48.6 tp10 -70.66 -37.68 73.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' NZ ' ' OD1' ' A' ' 47' ' ' ASN . 18.6 mmmt -72.11 -33.52 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.379 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 82.1 mt -92.29 -3.06 55.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.006 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.38 -171.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.93 0.395 . . . . 1.0 110.482 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.94 -23.24 62.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.441 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.24 80.13 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 -47.17 5.06 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.768 0.318 . . . . 1.0 110.978 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.78 9.98 10.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.828 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 24' ' ' VAL . 13.2 p -131.4 155.67 42.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.363 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -124.44 129.78 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.01 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.23 139.27 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -138.63 158.48 44.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.261 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.4 65.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.199 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 43.4 t0 -87.89 -9.14 54.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.778 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 p -72.52 141.7 48.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.422 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -95.37 143.73 26.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.121 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 60.5 m-85 -55.11 -40.93 71.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.166 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -65.15 -35.35 80.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.312 -0.403 . . . . 1.0 111.148 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -65.48 -37.69 87.57 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 120.876 0.37 . . . . 1.0 110.588 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.98 -6.63 28.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.334 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 19.23 32.44 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.042 -0.823 . . . . 1.0 111.042 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -78.49 109.33 12.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.706 0.288 . . . . 1.0 110.323 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 41' ' ' THR . 72.0 m-20 -89.45 174.8 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.447 ' O ' ' OG1' ' A' ' 41' ' ' THR . . . -59.68 -36.81 77.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' O ' HG12 ' A' ' 42' ' ' VAL . 59.7 mt -68.32 -33.72 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.841 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -82.04 -39.37 23.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 1.0 110.89 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 38' ' ' SER . 4.1 p -45.86 -39.09 8.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.91 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 39' ' ' LEU . 3.7 p -65.12 -36.86 78.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.156 0.503 . . . . 1.0 110.235 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.47 -37.9 77.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.4 mm -61.29 -50.31 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.733 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 46' ' ' MET . 7.3 p -68.45 -39.3 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.572 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.417 ' N ' HG13 ' A' ' 45' ' ' VAL . 56.4 ttm -59.53 -48.56 81.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.757 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.1 m-80 -64.29 -42.16 96.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.667 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.72 -41.89 95.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.578 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.29 -38.51 89.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.096 0.474 . . . . 1.0 110.35 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.48 -38.98 62.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.103 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -70.44 -42.72 71.16 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.911 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.96 -7.28 49.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.484 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.38 49.57 67.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.8 pt -124.88 163.9 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.559 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -127.53 120.17 27.66 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.429 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.61 138.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.168 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.9 t0 -70.65 143.05 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.272 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 12.4 tm-20 -65.75 -34.03 77.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.63 -31.26 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -79.72 -14.9 58.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.798 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.2 12.88 18.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.695 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 64' ' ' ILE . 96.7 mm-40 -70.01 -39.31 75.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.916 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -64.58 -1.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.595 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' H ' ' C ' ' A' ' 62' ' ' GLN . 51.2 mm -79.71 127.99 38.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.489 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.2 m -128.1 -39.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 p -128.43 173.93 9.78 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.766 0.317 . . . . 1.0 110.502 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.496 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 47.5 mm -57.94 -44.91 87.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.596 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.452 HE22 ' HB3' ' A' ' 1' ' ' ALA . 0.8 OUTLIER -55.79 -41.15 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.154 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -58.24 -44.16 88.12 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.232 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.09 86.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.349 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.5 86.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.668 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -40.21 96.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.436 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.89 -46.34 40.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.666 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.28 -55.34 23.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.353 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -50.79 -33.08 21.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 1.0 110.714 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.48 99.51 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.5 -41.4 96.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 1.0 110.666 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.0 mm? -61.7 -41.94 98.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.427 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.58 -25.96 66.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.554 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -60.0 -29.87 68.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.54 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -59.07 -42.67 90.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.408 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.055 -0.974 . . . . 1.0 110.706 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.556 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.84 170.97 13.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.09 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -65.72 -29.05 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.404 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.38 -47.68 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.863 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 m -61.8 -42.66 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.71 -40.07 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.69 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.53 -42.99 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.742 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -60.72 -50.97 71.32 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.103 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.9 t -66.96 -45.48 87.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.406 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.8 p -59.88 -39.43 85.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.52 -0.309 . . . . 1.0 110.963 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.98 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.04 0.447 . . . . 1.0 110.622 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -71.43 -42.85 73.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.7 t -61.53 -51.05 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.969 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.85 -32.5 74.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.724 -0.39 . . . . 1.0 109.982 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 18' ' ' ALA . 42.6 tp10 -71.12 -40.09 71.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.744 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.727 ' HZ3' HD21 ' A' ' 47' ' ' ASN . 0.1 OUTLIER -68.88 -36.3 77.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.917 -0.583 . . . . 1.0 111.591 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -90.82 -8.3 49.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.357 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -179.35 -167.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 19' ' ' LEU . 9.9 mp -81.86 -22.37 36.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.809 0.338 . . . . 1.0 110.261 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.25 9.14 76.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.46 -61.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 1.0 110.689 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.02 3.45 55.72 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.694 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -106.84 132.99 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.3 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -119.81 128.93 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.067 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 p -118.4 144.59 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.304 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -137.11 161.95 34.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.315 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.39 67.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.19 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -87.19 -10.49 52.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 p -73.32 154.75 39.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.366 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -107.32 146.76 31.15 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.21 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.528 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 73.2 m-85 -57.71 -41.69 82.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.42 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -61.95 -40.56 95.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.669 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -60.13 -37.11 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.49 -5.06 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.509 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.62 16.54 45.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.268 -0.733 . . . . 1.0 111.268 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.07 108.1 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 1.0 110.414 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 29.5 p30 -98.35 -172.18 2.29 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.537 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.27 -44.75 92.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.734 -0.667 . . . . 1.0 110.446 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 mt -67.05 -32.72 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.746 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 97.5 m-20 -84.24 -53.21 5.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 1.0 110.856 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 p -45.57 -41.58 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.808 -0.633 . . . . 1.0 111.545 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.68 -35.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.941 0.4 . . . . 1.0 109.991 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 96.7 mt-10 -70.47 -37.39 74.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.773 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -60.7 -51.3 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.912 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 46' ' ' MET . 7.6 p -68.31 -43.56 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 1.0 110.692 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.488 ' N ' HG13 ' A' ' 45' ' ' VAL . 59.3 ttp -59.56 -45.86 90.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.834 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.727 HD21 ' HZ3' ' A' ' 16' ' ' LYS . 53.1 m-80 -64.92 -42.41 94.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.771 0.319 . . . . 1.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.32 -42.54 96.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.899 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -57.48 -39.51 76.56 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.584 -0.446 . . . . 1.0 110.352 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -72.17 -37.29 69.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.984 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.94 -43.64 87.45 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.882 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -96.94 -1.68 45.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.671 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.97 51.82 47.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.282 -0.727 . . . . 1.0 111.282 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.47 156.06 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.876 0.37 . . . . 1.0 110.639 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -119.71 121.51 39.37 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.387 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.83 141.41 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.237 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -73.94 148.63 42.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -66.96 -35.27 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.737 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.6 p30 -62.31 -38.45 89.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 1.0 110.749 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.3 mttp -66.76 -40.08 88.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.815 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.23 14.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.158 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.426 ' C ' ' H ' ' A' ' 64' ' ' ILE . 76.1 mm-40 -71.26 -39.93 71.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.953 0.406 . . . . 1.0 111.0 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 49.5 t0 -63.5 -1.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.497 HD11 HG21 ' A' ' 73' ' ' VAL . 51.3 mm -78.44 126.7 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.333 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 p -127.27 -40.99 1.78 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.382 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.0 p -124.6 173.48 8.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.479 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.528 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.1 mm -59.03 -45.16 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.559 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.556 HE22 ' HB3' ' A' ' 1' ' ' ALA . 1.7 mm-40 -53.92 -41.79 68.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.335 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -58.94 -45.68 89.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.305 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.68 91.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.22 90.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.695 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.69 -41.38 99.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 1.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 64' ' ' ILE . 85.4 t -70.95 -45.84 70.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.75 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.16 -51.82 67.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.156 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -64.84 -33.24 75.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.099 0.476 . . . . 1.0 110.352 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.33 -23.59 64.62 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.7 mt -84.97 -45.44 12.18 Favored 'General case' 0 N--CA 1.46 0.066 0 CA-C-O 121.163 0.506 . . . . 1.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 81' ' ' LYS . 3.8 mt -63.32 -41.89 98.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.311 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -48.2 -39.03 19.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.774 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.42 -42.3 95.75 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.595 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 78' ' ' LEU . 16.6 ptpt -97.64 149.5 22.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.016 0.436 . . . . 1.0 110.568 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.802 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.4 ' O27' ' C34' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.3 157.33 22.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.846 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -63.06 -16.03 58.54 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.536 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 11.0 tm-20 -76.67 -43.65 37.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.3 m -62.19 -42.77 99.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.677 HD11 ' NE2' ' A' ' 68' ' ' GLN . 55.2 mt -57.2 -38.83 63.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.428 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.04 -42.15 98.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.464 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -64.52 -48.99 73.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 1.0 110.938 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 13' ' ' VAL . 57.5 t -64.58 -46.1 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.36 -40.54 94.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -60.81 -44.66 96.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.064 0.459 . . . . 1.0 110.78 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.36 -41.85 78.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.9 t -65.7 -51.39 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.509 -178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -63.2 -36.69 84.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.92 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' A' ' 18' ' ' ALA . 66.5 mm-40 -71.82 -34.7 69.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HZ1' ' HG3' ' A' ' 43' ' ' GLU . 17.5 mmmt -73.2 -32.83 65.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.412 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.58 -2.15 52.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.115 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.37 -170.77 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.607 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.43 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 62.6 mt -70.33 -23.98 62.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.695 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.96 -23.05 37.35 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.66 -29.22 16.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 1.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -94.81 4.68 53.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.786 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 24' ' ' VAL . 5.8 p -131.13 154.45 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.339 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.429 ' N ' HG22 ' A' ' 23' ' ' VAL . 79.0 t -126.37 125.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 1.0 109.96 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.0 t -118.08 134.98 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.417 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -134.46 161.44 35.03 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.589 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -27.34 66.4 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -86.61 -9.67 55.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.673 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -76.88 146.44 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.573 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -102.11 141.34 35.11 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.317 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.532 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 62.4 m-85 -50.39 -39.37 46.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.517 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.8 p -62.62 -39.26 93.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.664 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -62.6 -38.06 88.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.818 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.77 -20.09 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.49 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.52 0.7 37.38 Favored Glycine 0 N--CA 1.465 0.599 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.2 108.33 0.28 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.918 -0.313 . . . . 1.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 97.4 m-20 -93.42 -176.19 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.47 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.26 -45.47 93.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.455 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.22 -37.65 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.573 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 99.3 m-20 -78.65 -47.6 16.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 m -46.0 -45.48 15.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.017 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 p -64.55 -32.64 58.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.406 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.526 ' HG3' ' HZ1' ' A' ' 16' ' ' LYS . 1.2 tp10 -71.94 -35.17 69.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.481 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.43 -50.44 80.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.833 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 46' ' ' MET . 5.7 p -66.94 -42.5 88.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.449 ' N ' HG13 ' A' ' 45' ' ' VAL . 36.6 ttp -56.33 -47.3 79.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.877 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.518 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -65.98 -43.02 89.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.8 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.22 -42.88 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.589 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -58.46 -37.98 76.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.554 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.75 -37.02 65.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.812 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.1 tm-20 -68.06 -43.85 77.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.075 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 80.3 m-85 -93.23 -3.58 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.552 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.34 54.91 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.5 pt -125.24 -167.62 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.819 0.343 . . . . 1.0 110.459 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -148.52 115.49 6.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.497 -179.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -132.94 133.35 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.317 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -89.63 151.91 21.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.386 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -60.56 -36.34 78.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.625 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -62.32 -36.67 82.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.435 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -84.77 -15.04 46.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.663 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.78 10.66 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.732 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -68.63 -38.42 80.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.882 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.73 -6.16 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.66 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.6 mm -78.69 126.38 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.577 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 p -123.93 -43.79 2.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.738 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.5 p -126.93 178.05 6.22 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.657 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.532 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 42.5 mm -59.77 -44.63 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.32 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.677 ' NE2' HD11 ' A' ' 6' ' ' ILE . 5.7 mm-40 -54.95 -42.73 72.68 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.596 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -56.93 -46.77 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.352 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.14 89.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.553 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.32 94.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.773 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -63.35 -39.96 95.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 1.0 110.544 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -73.21 -44.84 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.753 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.7 -49.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.149 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.06 -31.67 72.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.945 0.402 . . . . 1.0 110.76 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.83 -26.41 73.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.312 -0.715 . . . . 1.0 111.312 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' LYS . 56.5 mt -75.12 -34.22 61.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.719 0.295 . . . . 1.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.55 -43.06 99.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.822 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' H ' ' HG2' ' A' ' 79' ' ' GLU . 8.1 pt-20 -70.64 -49.28 49.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.657 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 81' ' ' LYS . 7.7 ttpm? -69.71 -49.03 57.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.827 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 80' ' ' LYS . 39.7 mmtt 44.58 -171.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.743 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.336 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.567 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -63.48 146.71 53.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.094 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HD2' ' H ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -52.31 -18.78 1.72 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.585 179.367 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.434 ' H ' ' HD2' ' A' ' 3' ' ' LYS . 44.0 tt0 -75.31 -47.19 28.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.47 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 m -60.08 -42.23 94.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.598 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.627 HD11 ' NE2' ' A' ' 68' ' ' GLN . 53.0 mt -58.46 -40.39 78.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.326 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.61 -43.93 96.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.836 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.68 -49.26 77.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.924 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 13' ' ' VAL . 84.0 t -66.2 -46.01 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.459 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -61.69 -40.46 95.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.583 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -60.02 -45.69 91.95 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 121.224 0.535 . . . . 1.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.12 -43.28 75.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.431 . . . . 1.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 9' ' ' VAL . 67.8 t -62.96 -50.69 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.268 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.9 -33.36 75.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.694 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.1 mt-10 -67.62 -42.69 81.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.951 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.59 ' HB3' ' HZ2' ' A' ' 16' ' ' LYS . 2.3 mtpm? -70.82 -35.45 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.33 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 80.3 mt -90.91 -2.54 57.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.933 -178.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . 174.19 -176.31 0.08 Allowed 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.494 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.6 mm? -82.94 -22.77 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.706 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.3 -5.23 84.27 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.08 -0.808 . . . . 1.0 111.08 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.45 -55.31 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 1.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -101.26 12.17 37.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.597 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 18' ' ' ALA . 77.9 t -118.92 133.68 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.813 0.34 . . . . 1.0 110.185 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -115.15 129.1 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.86 140.04 41.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.668 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.451 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.4 p -140.29 161.37 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.676 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.418 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -58.53 -24.6 61.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.417 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 50.8 t0 -87.89 -19.13 27.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.549 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB3' ' H ' ' A' ' 26' ' ' THR . 12.9 t -71.66 138.67 48.81 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.61 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 97.6 mt-10 -87.83 166.3 14.68 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 120.958 0.409 . . . . 1.0 110.754 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.47 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 63.5 m-85 -71.54 -36.73 71.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.972 0.415 . . . . 1.0 110.719 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 m -65.51 -42.97 91.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.264 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -62.94 -20.83 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.63 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 34' ' ' LEU . 60.2 mt -82.41 -6.38 59.25 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.268 -179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.72 9.37 52.78 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -63.27 145.15 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.688 0.28 . . . . 1.0 110.37 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.554 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 99.7 m-20 -142.64 -177.1 5.13 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.681 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.08 -43.9 95.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.4 mt -70.18 -32.52 70.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.714 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.554 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 7.3 m-20 -84.24 -49.01 9.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.977 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 37' ' ' ASP . 8.1 p -45.87 -44.33 14.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.042 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 43' ' ' GLU . 11.8 p -63.45 -38.37 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.46 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.473 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 97.2 mt-10 -66.71 -36.34 82.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.886 0.374 . . . . 1.0 110.589 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.82 -44.42 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.441 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.73 -46.48 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.25 -41.43 98.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-80 -66.4 -50.38 63.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.925 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.42 -43.87 93.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.754 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -58.3 -39.06 78.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -73.8 -33.16 64.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.687 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.63 -42.81 86.19 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.508 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.14 -1.89 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.538 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.12 50.24 65.86 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 111.145 -0.782 . . . . 1.0 111.145 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.5 pt -125.1 -168.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.397 . . . . 1.0 110.489 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 10.6 p30 -148.77 115.57 6.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.4 t -128.68 129.96 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.431 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 65.7 t0 -78.1 142.35 38.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 99.2 mt-10 -58.35 -35.34 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -65.12 -34.91 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.99 -15.24 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.565 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.77 11.72 23.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.511 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.429 ' C ' ' H ' ' A' ' 64' ' ' ILE . 95.7 mm-40 -69.66 -40.37 76.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.811 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 57.2 t0 -63.36 -1.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.449 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.429 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.7 mm -81.4 127.17 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.521 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 p -127.96 -39.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.502 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 p -127.38 174.51 8.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.47 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 43.6 mm -58.85 -47.8 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.518 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.627 ' NE2' HD11 ' A' ' 6' ' ' ILE . 8.2 mm-40 -51.1 -40.03 57.5 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.671 -0.411 . . . . 1.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.18 -48.3 82.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.279 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -40.47 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.709 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.03 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.718 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.58 -44.37 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.775 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.55 -44.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.764 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.51 -54.5 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.074 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -65.5 -32.69 74.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.987 0.423 . . . . 1.0 110.568 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.87 -27.6 64.64 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -78.01 -42.03 33.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.0 111.018 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -62.65 -40.26 96.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.527 -179.533 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.99 -34.15 69.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.576 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.26 -45.4 94.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.599 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 78' ' ' LEU . 53.9 pttt -98.29 150.44 21.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.698 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' OXT' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.64 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.024 -0.732 . . . . 1.0 109.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 161.99 32.09 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.117 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.42 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -60.16 -31.98 70.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.653 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -65.0 -49.38 70.45 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.531 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.0 m -60.97 -42.06 97.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.829 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.681 HD11 ' NE2' ' A' ' 68' ' ' GLN . 96.3 mt -59.22 -40.89 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.966 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.72 -42.53 97.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.565 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -62.58 -48.08 81.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.981 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.0 t -64.07 -46.81 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.051 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.56 -39.81 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.596 -0.274 . . . . 1.0 110.675 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -61.76 -44.98 95.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.492 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.5 mt -69.17 -43.06 81.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.01 0.433 . . . . 1.0 110.42 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 9' ' ' VAL . 71.4 t -64.02 -49.01 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.619 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -65.62 -32.67 74.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.099 0.476 . . . . 1.0 110.361 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 18' ' ' ALA . 51.5 tp10 -69.24 -42.33 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.789 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -35.1 73.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.295 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 93.9 mt -85.95 -11.67 52.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.874 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.47 -174.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.347 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.7 mt -72.6 -23.36 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.877 0.37 . . . . 1.0 110.54 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.19 -17.24 52.85 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.703 -0.959 . . . . 1.0 110.703 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -50.53 60.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 1.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -96.18 1.9 52.64 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.42 132.43 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.148 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -118.57 131.37 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.4 t -116.62 136.17 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -133.19 165.86 23.81 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.78 -23.53 65.09 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.502 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -87.4 -20.22 26.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 m -69.71 140.12 53.49 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.362 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -98.8 143.7 28.85 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 73.1 m-85 -51.86 -40.91 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.852 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -61.21 -42.2 98.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.905 0.383 . . . . 1.0 110.711 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -61.69 -38.19 86.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.76 -22.11 66.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.592 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 17.98 11.27 Favored Glycine 0 N--CA 1.464 0.518 0 N-CA-C 111.225 -0.75 . . . . 1.0 111.225 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.91 109.6 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 1.0 110.364 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -92.39 -168.55 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.543 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -61.81 -46.71 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.634 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.767 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.96 -44.74 91.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' C5 ' ' A' ' 102' ' ' DKA . 97.0 m -46.36 -38.76 9.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 1.0 110.737 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.941 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 95.8 mt-10 -63.68 -39.35 94.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.678 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.4 HG23 HG22 ' A' ' 13' ' ' VAL . 38.7 mm -64.55 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.954 0.406 . . . . 1.0 110.95 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.42 -44.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.367 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.1 ttm -60.66 -44.71 96.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.724 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.7 m-80 -64.89 -44.57 89.19 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.784 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.65 -42.24 91.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.032 0.444 . . . . 1.0 110.795 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.23 -39.77 87.87 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.56 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -73.86 -39.46 63.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -70.54 -44.03 68.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 120.719 -0.393 . . . . 1.0 110.882 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -88.44 -6.83 57.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.324 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.02 49.58 70.59 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.1 pt -127.59 162.63 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.838 0.352 . . . . 1.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -132.61 115.67 15.72 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.283 179.614 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 p -141.11 145.79 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.262 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -79.41 148.41 31.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -65.11 -37.27 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.739 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 26.5 p30 -50.38 -32.24 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.426 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 63.6 mttp -88.23 -13.28 41.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.343 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' GLU . . . -94.19 3.8 54.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.019 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 59' ' ' ASP . 2.4 pt20 -68.5 -37.75 80.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.864 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.63 -4.91 4.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.602 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 73' ' ' VAL . 46.3 mm -79.48 127.78 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 53.7 p -126.61 -36.63 2.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.596 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.0 p -125.23 172.67 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.74 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 41.5 mm -60.85 -44.02 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.372 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.681 ' NE2' HD11 ' A' ' 6' ' ' ILE . 1.7 mm-40 -54.37 -45.01 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.284 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 65' ' ' SER . 81.8 mt-30 -59.31 -40.93 87.81 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.359 -0.536 . . . . 1.0 109.999 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.36 -42.03 84.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.355 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 64' ' ' ILE . 73.3 t -70.26 -44.53 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.506 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.41 -60.47 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.115 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -48.93 -36.63 17.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.843 0.354 . . . . 1.0 110.663 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.93 -37.92 94.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' LYS . 87.5 mt -65.45 -39.6 92.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 1.0 110.849 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? -60.94 -28.03 68.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.489 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.67 -44.16 74.63 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.514 -0.475 . . . . 1.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 82' ' ' ALA . 6.8 ptmm? -93.68 -35.44 12.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.965 0.412 . . . . 1.0 111.33 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 78' ' ' LEU . 60.2 mttp 58.26 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.476 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 80' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.034 -0.984 . . . . 1.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . 0.453 ' C5 ' HG23 ' A' ' 41' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.439 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.98 139.99 30.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.423 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -46.35 -21.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.445 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -70.22 -45.64 66.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.2 m -64.51 -33.88 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.614 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.5 mm -61.36 -41.25 89.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.439 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.64 -41.13 97.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.66 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -58.15 -52.64 64.7 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.925 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.8 t -65.41 -45.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.404 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -60.22 -41.8 93.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.811 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -60.05 -46.2 90.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 1.0 110.592 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.34 -42.09 81.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.72 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 9' ' ' VAL . 61.7 t -64.09 -53.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.479 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -62.47 -32.86 73.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.937 0.399 . . . . 1.0 110.527 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 18' ' ' ALA . 82.0 tt0 -70.06 -39.92 75.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.885 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.7 mmmt -69.62 -36.86 76.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.548 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.63 -12.21 51.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.022 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 179.91 -171.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.351 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.0 mp -78.69 -23.49 45.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.78 -15.8 60.81 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -49.51 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.0 110.919 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -96.63 3.32 52.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.781 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.23 134.27 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 1.0 110.28 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.8 p -116.87 128.96 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.157 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 p -117.26 146.07 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.384 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' A' ' 29' ' ' SER . 1.2 p -139.13 158.95 43.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.461 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -56.24 -28.01 57.0 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.113 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 46.6 t0 -88.82 -11.02 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.677 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HB3' ' H ' ' A' ' 26' ' ' THR . 57.2 p -66.75 143.32 57.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.366 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -99.37 144.01 28.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.261 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 68.3 m-85 -57.15 -37.48 72.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.664 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.99 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.72 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -62.84 -39.89 95.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.3 mt -66.05 -20.43 66.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.437 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.78 6.17 37.98 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.34 108.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 1.0 110.437 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.593 ' CG ' ' H ' ' A' ' 38' ' ' SER . 43.0 t0 -101.25 -169.69 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.43 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.593 ' H ' ' CG ' ' A' ' 37' ' ' ASP . . . -61.67 -44.92 96.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.397 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.87 -37.3 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.405 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 98.8 m-20 -82.33 -49.15 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.075 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 37' ' ' ASP . 52.7 m -45.92 -45.3 15.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.459 -178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 43' ' ' GLU . 12.8 p -63.51 -36.02 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.802 -0.359 . . . . 1.0 110.421 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 42' ' ' VAL . 80.6 mm-40 -68.27 -34.22 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.584 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.2 mm -60.72 -49.31 85.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.675 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.57 -44.2 93.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.967 0.413 . . . . 1.0 110.747 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.6 ttm -55.23 -48.41 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.856 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.575 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 1.9 m-80 -64.17 -44.19 92.84 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.733 -0.387 . . . . 1.0 110.949 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.01 -42.29 97.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.899 0.381 . . . . 1.0 110.704 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.85 -39.89 82.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -74.21 -36.12 63.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -66.36 -47.37 73.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -96.1 -2.76 45.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.588 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.31 45.52 82.88 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.4 pt -112.01 -170.93 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.868 0.366 . . . . 1.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -156.51 113.24 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.8 p -141.58 141.62 29.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.422 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -78.77 146.6 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.559 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.37 -33.72 76.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.592 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HA ' HE21 ' A' ' 62' ' ' GLN . 93.5 m-20 -51.49 -41.91 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.426 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.93 -13.38 59.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.24 6.03 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.685 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.438 HE21 ' HA ' ' A' ' 59' ' ' ASP . 74.3 mt-30 -67.6 -37.65 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 30.4 p-10 -64.95 -6.64 8.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.812 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 73' ' ' VAL . 47.8 mm -76.94 127.7 37.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.325 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -124.37 -38.28 2.44 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.547 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 p -131.48 177.51 7.44 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.86 0.362 . . . . 1.0 110.398 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.517 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 45.1 mm -59.75 -46.69 93.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.346 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.566 ' CA ' HE21 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -53.66 -41.24 66.62 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.42 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -59.44 -44.06 92.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.347 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.492 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.81 84.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.784 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 64.0 t0 -61.83 -39.84 93.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.664 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.494 HG21 HD11 ' A' ' 64' ' ' ILE . 75.5 t -75.33 -46.38 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.873 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.86 -53.12 50.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.312 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -56.99 -32.78 66.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.696 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.99 91.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.66 -42.34 91.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 1.0 110.933 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.93 -39.51 94.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.733 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.66 -33.78 76.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.247 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 81' ' ' LYS . 88.9 tttt -67.29 -76.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.808 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' LYS . 62.9 mttm 43.92 -169.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.719 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.937 -1.03 . . . . 1.0 110.484 -179.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -83.9 170.78 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.11 0.481 . . . . 1.0 109.981 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -66.91 -25.61 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.596 179.548 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -66.5 -47.46 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.503 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.534 HG21 ' OE2' ' A' ' 75' ' ' GLU . 13.3 m -60.36 -41.11 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.7 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.669 HD11 ' NE2' ' A' ' 68' ' ' GLN . 96.4 mt -59.87 -41.77 86.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.923 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -61.2 -46.12 91.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -59.51 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.639 -0.424 . . . . 1.0 111.178 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 13' ' ' VAL . 65.6 t -64.43 -44.96 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.048 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 p -65.75 -39.33 90.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.01 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.61 -45.76 90.97 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.27 0.557 . . . . 1.0 110.61 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mt -71.77 -42.94 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.618 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 9' ' ' VAL . 53.3 t -62.52 -57.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.917 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 16.7 ptmt -52.98 -38.88 62.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.179 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 18' ' ' ALA . 95.0 mt-10 -70.68 -33.24 70.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -36.73 76.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.544 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.1 mt -92.49 -10.6 37.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.921 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -173.8 -161.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.366 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.0 mp -85.98 -22.76 27.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 1.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.07 -19.48 34.37 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.3 -50.63 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.945 0.403 . . . . 1.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 23.1 p-10 -93.27 6.35 48.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.76 134.74 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.191 0.52 . . . . 1.0 110.064 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.4 p -109.11 127.88 65.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.047 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 p -117.29 136.92 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.643 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 p -140.64 158.3 44.18 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 -26.35 58.17 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -85.76 -12.86 49.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.677 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 p -77.81 139.1 39.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.584 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.504 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 97.7 mt-10 -89.55 166.19 13.81 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.149 0.499 . . . . 1.0 110.707 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 59.4 m-85 -72.73 -40.58 65.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.114 0.483 . . . . 1.0 110.754 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -64.42 -44.74 90.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.967 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HG2' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -59.21 -21.51 59.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.506 -179.271 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.95 -7.89 59.62 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.371 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.02 6.38 56.97 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.42 108.17 0.24 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.883 0.373 . . . . 1.0 110.489 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 91.3 m-20 -94.98 -176.39 3.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.459 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -64.99 -38.81 92.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.571 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.4 mp -75.54 -21.5 57.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.564 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 92.7 m-20 -83.71 -50.2 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.883 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.3 m -45.93 -42.65 13.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.587 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.65 -37.28 79.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.96 -0.563 . . . . 1.0 110.227 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.57 -37.69 82.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.589 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 13' ' ' VAL . 47.4 mm -62.78 -48.28 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.775 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.69 -44.83 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.995 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.8 ttp -60.61 -44.98 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.408 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -66.03 -47.42 74.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.231 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.914 0.387 . . . . 1.0 110.664 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -59.93 -37.32 79.16 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.54 -0.464 . . . . 1.0 110.716 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -74.58 -37.17 63.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.804 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -67.14 -50.83 59.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -87.97 -2.95 58.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.491 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 51.44 53.0 30.33 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.073 -0.811 . . . . 1.0 111.073 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.0 pt -120.13 -168.15 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 120.973 0.416 . . . . 1.0 110.667 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 7.8 p30 -156.4 108.87 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.404 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -133.07 139.66 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.627 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 58.4 t0 -74.08 147.57 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 56.7 mp0 -66.19 -32.69 74.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.653 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 22.1 m-20 -63.94 -40.1 95.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.1 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' C ' ' H ' ' A' ' 62' ' ' GLN . 68.6 mttm -67.35 -41.45 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 17.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.01 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.444 ' H ' ' C ' ' A' ' 60' ' ' LYS . 69.5 mm-40 -70.66 -39.7 73.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.872 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -63.63 -2.78 1.83 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.572 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.547 HD11 HG21 ' A' ' 73' ' ' VAL . 48.8 mm -79.87 127.03 39.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 1.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.493 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 1.4 m -134.32 -18.77 1.97 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.27 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.53 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 33.6 p -137.54 168.87 18.8 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.637 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.508 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 42.5 mm -60.8 -44.87 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.504 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.669 ' NE2' HD11 ' A' ' 6' ' ' ILE . 2.6 mm-40 -54.83 -45.4 74.44 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.354 -0.538 . . . . 1.0 110.547 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.53 ' OE1' ' N ' ' A' ' 66' ' ' THR . 83.4 mt-30 -58.36 -43.61 88.44 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.116 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.04 97.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.52 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.44 81.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.84 -48.45 81.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.085 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 64' ' ' ILE . 61.1 t -61.68 -45.47 98.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -60.93 -51.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.484 -0.486 . . . . 1.0 110.361 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.534 ' OE2' HG21 ' A' ' 5' ' ' THR . 65.6 mm-40 -48.39 -37.14 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 1.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.74 97.22 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.39 -41.36 96.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 1.0 110.689 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.3 mm? -61.68 -40.44 95.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.352 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.29 -34.66 78.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.578 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -63.16 -28.95 70.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.653 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -60.04 -42.4 94.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.371 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.024 -0.988 . . . . 1.0 110.37 179.822 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.544 ' N36' H313 ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.615 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -77.73 144.3 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.146 0.498 . . . . 1.0 109.925 179.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -18.11 0.29 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.083 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' LYS . 85.4 mt-10 -73.59 -49.05 28.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.69 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.9 m -60.99 -42.36 98.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.611 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.43 HD11 ' NE2' ' A' ' 68' ' ' GLN . 96.7 mt -60.49 -41.58 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.256 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -43.07 95.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.723 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -62.26 -48.44 79.93 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.629 -0.428 . . . . 1.0 111.103 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 t -65.46 -46.75 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.258 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 m -59.09 -40.94 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.595 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -61.56 -43.78 98.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.633 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.1 -42.7 81.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.035 0.445 . . . . 1.0 110.613 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 9' ' ' VAL . 96.7 t -65.11 -50.22 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.745 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -64.87 -37.28 87.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.772 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 18' ' ' ALA . 64.1 mm-40 -70.26 -36.17 74.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.937 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.1 mmmt -72.03 -35.12 69.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.397 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -93.02 -6.1 49.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.054 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.23 -169.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.457 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -85.81 -19.62 30.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.532 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.06 -13.62 56.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 1.0 110.737 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.03 -48.75 70.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 1.0 110.708 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 52.3 t0 -106.95 10.83 30.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.622 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.2 t -124.8 133.39 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.0 t -121.5 131.02 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.949 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -116.66 133.53 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.111 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -130.68 166.16 21.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.434 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -25.65 63.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.538 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 33.0 t0 -88.35 -8.23 55.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.773 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -76.89 134.66 38.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.544 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -93.43 141.66 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.019 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.11 -40.93 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.531 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.9 m -60.47 -41.65 94.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.843 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -59.12 -39.77 83.35 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 120.708 0.29 . . . . 1.0 110.54 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.57 -16.52 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.365 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.25 3.83 47.62 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 109.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 1.0 110.381 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 92.6 m-20 -88.97 -175.31 4.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.548 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.91 -49.27 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.539 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.85 -42.14 95.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.679 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 72.7 m-20 -63.3 -44.32 95.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.498 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.0 m -46.09 -39.72 9.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.865 0.364 . . . . 1.0 110.634 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.43 -43.79 94.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.303 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.31 -37.98 85.18 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.57 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.11 -48.92 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.541 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.66 -42.77 83.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.432 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -56.78 -47.54 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.873 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.614 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.1 m-80 -65.01 -43.19 93.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.649 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.05 -43.84 94.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 1.0 110.627 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.09 -37.45 77.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.533 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.98 -38.48 61.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.985 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' OE1' ' CD2' ' A' ' 52' ' ' PHE . 14.4 tm-20 -67.16 -44.92 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.005 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.429 ' CD2' ' OE1' ' A' ' 51' ' ' GLU . 94.9 m-85 -94.72 -4.24 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.586 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.67 51.17 58.4 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.031 -0.827 . . . . 1.0 111.031 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.454 ' C ' ' ND2' ' A' ' 55' ' ' ASN . 35.6 pt -126.87 -167.54 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 1.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -146.98 118.66 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.144 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.91 128.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.411 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -83.16 152.27 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.437 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -63.31 -27.88 69.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.365 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.16 -39.53 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -77.95 -14.09 59.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.3 50.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.605 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -68.5 -52.14 35.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.979 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 64' ' ' ILE . 37.1 p-10 -63.91 -28.69 70.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.736 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 73' ' ' VAL . 50.3 mm -58.8 124.5 13.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.403 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.432 ' HB2' HE22 ' A' ' 69' ' ' GLN . 67.1 m -134.09 -18.27 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.41 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 p -135.01 167.59 20.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mm -60.92 -43.76 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.615 HE22 ' HB3' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -56.02 -44.98 79.25 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.421 -179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.432 HE22 ' HB2' ' A' ' 65' ' ' SER . 78.6 mt-30 -58.03 -41.07 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.007 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.1 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.286 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.65 -37.1 81.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.686 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.73 -44.4 96.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 64' ' ' ILE . 71.0 t -69.9 -43.4 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.389 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.9 mt -67.38 -60.42 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.164 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -48.69 -30.73 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.878 0.37 . . . . 1.0 110.669 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.99 -40.78 95.4 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.63 -41.57 98.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.696 0.284 . . . . 1.0 110.63 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.2 mm? -60.97 -41.93 97.32 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.426 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -68.68 -36.32 78.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.635 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.17 -44.61 97.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.673 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -88.72 176.1 7.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.412 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.807 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.504 H311 ' N36' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.401 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.25 170.47 12.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.295 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' CD ' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -64.45 -27.9 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.523 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.31 -48.15 74.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.1 m -63.1 -44.09 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.652 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -56.55 -36.46 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.121 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.43 -42.69 98.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -62.23 -53.91 48.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.988 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 13' ' ' VAL . 71.5 t -64.33 -47.28 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.691 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.7 p -61.53 -38.66 88.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.675 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.56 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.499 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -69.75 -42.32 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.139 0.495 . . . . 1.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 9' ' ' VAL . 68.8 t -60.72 -53.86 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.845 -0.616 . . . . 1.0 112.011 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -63.95 -32.71 74.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.794 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 18' ' ' ALA . 73.8 mt-10 -67.64 -36.69 81.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.596 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 17.2 mmmt -74.84 -32.62 61.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 1.0 111.217 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -95.6 -3.5 46.25 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.068 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . -177.27 -172.41 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.74 -24.19 53.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.03 4.06 88.69 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.064 -0.814 . . . . 1.0 111.064 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.7 -62.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 1.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -86.05 13.99 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.672 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -119.41 132.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.993 0.425 . . . . 1.0 110.528 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 24' ' ' VAL . 14.6 p -101.48 127.61 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 1.0 110.381 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.28 137.0 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.832 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -141.47 159.49 42.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.785 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB1' ' CG ' ' A' ' 68' ' ' GLN . . . -57.05 -30.01 63.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.298 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -80.67 -8.59 59.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 m -71.7 132.34 44.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.605 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -93.76 147.79 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.458 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.625 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.1 m -61.27 -41.65 97.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.68 -39.06 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 34' ' ' LEU . 95.5 mt -65.98 -10.22 37.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.516 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.3 5.78 55.75 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.77 109.14 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 1.0 110.607 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -89.4 -175.11 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.361 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -60.01 -47.21 86.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.475 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.11 -42.55 89.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.495 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.51 -45.72 89.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -46.62 -38.08 9.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.352 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.15 -43.0 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.515 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.94 -36.78 85.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.022 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.21 -51.98 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.231 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.89 -35.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.046 0.451 . . . . 1.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 tpp -61.82 -46.36 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.627 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 3.2 m-80 -67.03 -43.14 83.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.84 -42.76 97.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.482 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -61.06 -38.46 86.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.416 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.08 -36.73 61.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.057 0.456 . . . . 1.0 111.188 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -63.16 -49.05 75.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.982 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -94.4 -6.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.71 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.38 39.48 97.82 Favored Glycine 0 C--N 1.33 0.242 0 N-CA-C 111.331 -0.708 . . . . 1.0 111.331 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.3 pt -108.17 -168.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.872 0.368 . . . . 1.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -149.02 125.75 11.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.26 133.18 52.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 58' ' ' GLU . 56.7 t0 -77.18 152.83 34.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.435 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 13.4 tm-20 -65.76 -35.88 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.481 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -63.22 -40.2 96.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.611 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 62' ' ' GLN . 63.6 mttp -67.58 -35.52 79.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.05 0.452 . . . . 1.0 111.045 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.84 8.53 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.918 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.433 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 91.7 mm-40 -71.91 -39.92 69.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -72.04 -0.37 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.535 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.3 mm -88.67 125.12 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.501 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 5.7 t -132.88 -22.95 2.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.429 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.459 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 73.6 p -131.05 169.14 16.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.49 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.8 mm -60.71 -44.56 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.464 HE22 ' HB3' ' A' ' 1' ' ' ALA . 1.3 mm-40 -54.2 -46.8 72.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 65' ' ' SER . 83.7 mt-30 -57.01 -44.71 83.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.131 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.51 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.181 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.19 -35.13 73.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.696 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -61.37 -39.25 89.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.402 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 82.6 t -76.07 -45.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.152 0.501 . . . . 1.0 111.199 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.6 -54.11 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.786 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 76' ' ' GLY . 2.9 pp20? -49.43 -36.17 21.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.615 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 75' ' ' GLU . . . -60.55 -42.86 99.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.092 -0.803 . . . . 1.0 111.092 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.97 -39.65 93.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 1.0 110.587 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp -60.78 -40.06 91.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.551 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -56.49 -32.73 65.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.664 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -64.88 -32.35 74.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.062 0.458 . . . . 1.0 110.909 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -44.06 -45.39 8.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.714 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.121 -0.943 . . . . 1.0 110.623 -179.843 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.451 ' C34' ' O27' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.658 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.081 -0.711 . . . . 1.0 109.081 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.592 ' HZ1' ' HB2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -132.8 161.63 33.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.173 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.575 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -57.62 -27.72 63.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.434 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -67.48 -51.73 47.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.57 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.517 ' CB ' ' HZ3' ' A' ' 2' ' ' LYS . 80.0 m -61.83 -36.37 80.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.783 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 3' ' ' LYS . 94.0 mt -60.68 -41.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.303 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -41.95 99.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.673 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -61.72 -49.95 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.166 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.4 t -65.52 -45.92 91.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -60.82 -50.04 75.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 120.988 -0.285 . . . . 1.0 110.872 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 40.8 t0 -48.86 -47.02 43.16 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.482 0.488 . . . . 1.0 110.896 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.89 -42.25 85.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.956 0.408 . . . . 1.0 110.706 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 9' ' ' VAL . 73.0 t -62.87 -49.97 81.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.423 . . . . 1.0 111.4 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -68.51 -31.69 71.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.914 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 18' ' ' ALA . 67.5 mt-10 -67.7 -39.96 84.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 1.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -33.0 60.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.001 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 88.1 mt -92.99 -0.93 57.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.819 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 176.58 -172.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.51 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.93 -25.33 62.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.693 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.44 -23.43 25.0 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.05 -32.15 16.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.841 0.353 . . . . 1.0 110.756 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -92.77 2.76 56.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.723 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.73 150.47 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.57 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.8 p -134.4 120.7 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.397 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.31 150.97 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.137 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 28' ' ' ASP . 2.0 p -136.04 166.08 24.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.535 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.02 -12.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.366 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 26' ' ' THR . 43.5 t0 -100.6 -9.64 21.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.686 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -73.76 127.71 33.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.579 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -89.34 141.8 28.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 76.0 m-85 -56.61 -41.27 76.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.763 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -59.0 -41.46 87.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.721 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.0 -17.32 64.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.504 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.65 8.28 43.32 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.061 -0.815 . . . . 1.0 111.061 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.57 108.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 1.0 110.545 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 85.0 m-20 -93.72 -176.59 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.541 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.07 -47.5 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.509 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.9 mt -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.479 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 99.2 m-20 -76.0 -46.88 27.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.2 m -44.88 -45.34 10.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.84 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.46 -32.73 51.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.391 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 40' ' ' ASP . 21.3 tp10 -67.95 -35.14 77.89 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 40' ' ' ASP . 45.5 mm -61.96 -46.96 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.78 -42.62 86.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.5 tpp -56.57 -47.74 78.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.76 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -63.87 -43.18 96.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.73 -43.2 89.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.927 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' GLY . 91.1 mt-10 -58.93 -41.74 88.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -73.54 -35.33 65.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.842 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -65.8 -46.17 79.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.834 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -98.93 -4.68 32.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 1.0 110.651 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 61.38 48.62 84.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.096 -0.802 . . . . 1.0 111.096 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 pt -123.27 162.29 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.297 -0.26 . . . . 1.0 110.297 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -119.86 114.99 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.42 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.4 t -127.91 131.32 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.4 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.86 143.24 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.384 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.88 -27.94 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.52 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.72 -39.43 94.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.74 -13.41 54.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.41 7.2 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.651 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.645 HE22 ' C39' ' A' ' 101' ' ' PNS . 99.5 mm-40 -70.09 -41.9 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.853 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.46 1.36 0.36 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 62' ' ' GLN . 48.4 mm -84.95 130.31 36.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.632 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -129.85 -37.66 1.51 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 p -130.04 177.28 7.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.879 0.371 . . . . 1.0 110.4 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.489 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 48.1 mm -59.53 -44.72 93.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.602 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.658 HE22 ' HB3' ' A' ' 1' ' ' ALA . 3.7 mm-40 -56.1 -44.0 78.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.516 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -56.15 -45.05 79.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.268 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.06 90.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.36 82.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.77 -39.88 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.6 t -76.34 -45.89 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.07 -52.6 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.592 ' HB2' ' HZ1' ' A' ' 2' ' ' LYS . 1.5 pp20? -56.27 -34.6 66.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.08 99.31 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.7 -40.17 92.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.329 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.22 -39.08 88.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.34 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.96 -38.72 79.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.666 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.98 -39.14 93.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.742 0.306 . . . . 1.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -52.28 171.79 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.393 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.046 -0.978 . . . . 1.0 110.645 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.645 ' C39' HE22 ' A' ' 62' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.584 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.447 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -82.49 175.52 10.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.205 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -69.07 -26.43 64.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.821 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.82 -48.32 59.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.834 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 m -61.11 -44.54 97.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.489 ' CG1' HE21 ' A' ' 68' ' ' GLN . 97.2 mt -56.41 -38.99 58.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.383 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.51 -40.8 97.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.537 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -61.83 -50.23 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.932 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.1 t -67.49 -46.29 83.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.554 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.47 -44.4 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -69.18 -42.82 81.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.952 0.406 . . . . 1.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 9' ' ' VAL . 70.5 t -65.89 -51.04 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.248 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -63.01 -31.71 72.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.584 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 18' ' ' ALA . 12.0 tm-20 -69.87 -40.84 75.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.66 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -35.24 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.426 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 86.8 mt -86.37 -7.73 58.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.053 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . 175.42 -177.54 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.485 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.37 -24.36 62.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.659 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.63 -13.65 63.54 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.91 -50.16 44.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 1.0 110.7 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.5 3.38 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.635 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.423 HG21 ' CB ' ' A' ' 18' ' ' ALA . 77.6 t -118.57 132.01 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.324 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.97 129.94 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.429 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -116.6 136.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.193 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.74 167.07 17.0 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.693 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.2 -22.14 66.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.594 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 52.6 t0 -92.19 -7.55 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.685 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.7 m -77.75 135.23 37.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.603 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -89.55 142.14 27.94 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -53.77 -40.7 66.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.686 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -62.36 -38.62 90.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -38.19 88.28 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.56 -20.58 66.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 1.0 109.594 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.65 6.82 32.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.31 109.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 1.0 110.44 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' H ' ' HB2' ' A' ' 40' ' ' ASP . 99.3 m-20 -88.0 -176.3 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.94 -49.48 77.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.546 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 12.6 m-20 -65.14 -44.71 87.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.394 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.3 m -46.17 -39.43 9.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.803 0.335 . . . . 1.0 110.537 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.54 -42.47 93.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.336 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 81.0 mm-40 -61.5 -39.55 91.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.448 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.58 -47.75 91.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.595 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.9 -43.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.971 0.415 . . . . 1.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 tpp -60.36 -45.6 92.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.891 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 43' ' ' GLU . 2.6 m-80 -64.79 -47.37 78.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.799 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.47 -44.18 95.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.85 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.42 -36.94 85.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.907 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -76.21 -37.28 57.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.67 -43.42 69.16 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.721 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -94.18 -5.9 46.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.9 49.59 65.79 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.8 pt -121.99 161.08 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 1.0 110.489 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.48 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -124.59 122.74 38.41 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.429 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.43 141.32 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.42 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.96 147.26 41.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.788 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -65.3 -34.69 78.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -62.03 -39.93 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' A' ' 62' ' ' GLN . 10.0 mtpm? -66.74 -41.84 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.92 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.75 23.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.874 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 60' ' ' LYS . 80.2 mm-40 -79.28 -35.3 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.614 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.61 -0.98 4.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.37 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.496 HD11 HG21 ' A' ' 73' ' ' VAL . 48.0 mm -77.15 125.69 37.14 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.502 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 m -124.52 -36.93 2.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 p -128.74 174.93 9.01 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.92 0.39 . . . . 1.0 110.476 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mm -59.92 -43.65 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.752 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.584 HE22 ' HB3' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -57.53 -40.63 79.24 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.63 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -57.82 -44.17 86.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.063 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.34 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.488 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.2 89.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.01 -41.17 99.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.533 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.496 HG21 HD11 ' A' ' 64' ' ' ILE . 91.9 t -71.54 -43.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.747 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.91 -59.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.212 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -48.21 -32.34 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.502 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.62 90.42 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.72 -39.11 70.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.854 0.359 . . . . 1.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.2 mm? -60.5 -45.58 93.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.043 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' A' ' 81' ' ' LYS . 10.0 pt-20 -69.81 -42.3 73.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.008 0.432 . . . . 1.0 110.803 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -49.05 -11.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.635 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 79' ' ' GLU . 99.5 mttt -73.93 142.24 45.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.6 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.056 -0.973 . . . . 1.0 110.53 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.446 ' O27' ' C34' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.465 ' HB3' HE22 ' A' ' 68' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.631 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -69.63 161.72 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.158 0.504 . . . . 1.0 110.035 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -63.76 -15.11 57.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.637 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 81.7 tt0 -76.75 -46.71 24.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.553 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 m -60.85 -42.16 97.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.704 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.516 HD11 ' NE2' ' A' ' 68' ' ' GLN . 60.4 mt -58.94 -38.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.501 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -63.51 -38.03 89.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.479 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -64.76 -50.04 68.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.235 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 13' ' ' VAL . 57.4 t -65.84 -45.04 92.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.482 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -61.1 -38.83 87.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.699 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.644 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.1 mt -71.72 -42.39 70.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.701 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 9' ' ' VAL . 75.2 t -64.77 -51.92 61.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.198 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -63.03 -33.44 75.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.926 0.393 . . . . 1.0 110.682 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' ALA . 79.3 tt0 -70.56 -39.34 74.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.776 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.61 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.9 mmmt -71.02 -35.68 72.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.866 -0.606 . . . . 1.0 111.49 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.95 -8.73 53.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.97 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 178.61 -171.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.488 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 19' ' ' LEU . 10.4 mp -79.21 -22.85 44.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.403 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.14 -0.86 82.17 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.68 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.717 0.294 . . . . 1.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -97.22 9.69 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG21 ' CB ' ' A' ' 18' ' ' ALA . 69.8 t -119.87 133.8 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.135 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.9 p -112.05 126.83 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.205 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -117.7 140.0 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.947 -0.569 . . . . 1.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -140.8 161.27 38.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.672 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -23.69 64.01 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.391 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.8 -16.59 31.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.713 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 m -71.76 137.01 47.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.493 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.07 151.62 21.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 56.6 m-85 -58.8 -41.44 86.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.8 t -62.04 -40.5 95.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -58.88 -39.81 82.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.796 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.91 -21.56 65.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.634 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.01 -9.96 22.94 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.95 109.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 1.0 110.433 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -99.07 -175.09 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.408 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -59.93 -41.86 92.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' O ' HG12 ' A' ' 42' ' ' VAL . 52.9 mt -65.22 -38.87 91.75 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.527 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -80.92 -37.45 29.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.539 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.5 m -45.73 -43.6 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.723 0.296 . . . . 1.0 111.007 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 39' ' ' LEU . 8.7 p -66.06 -35.29 74.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.53 -39.17 81.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.773 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -59.84 -51.08 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.945 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.23 -36.71 77.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.614 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.4 tpp -60.85 -48.04 83.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.708 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.61 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.7 m-80 -65.16 -42.54 93.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.672 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.98 -44.69 91.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 1.0 110.931 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.68 -37.07 82.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.648 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.4 -37.14 60.67 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.935 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -66.77 -45.15 79.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.999 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -96.36 -3.54 43.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.42 50.0 61.98 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 HD12 ' A' ' 77' ' ' LEU . 43.3 pt -121.37 178.61 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 120.881 0.372 . . . . 1.0 110.486 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -142.65 125.59 16.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.479 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.17 139.03 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.426 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -77.13 145.76 37.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.454 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -66.14 -35.13 79.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.438 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -62.9 -34.95 78.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -81.52 -15.08 56.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.573 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.29 15.12 20.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.731 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.17 -38.4 78.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.797 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 35.4 p-10 -63.54 -7.79 7.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.697 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 73' ' ' VAL . 46.2 mm -75.55 127.22 36.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.456 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.52 ' N ' ' OE1' ' A' ' 69' ' ' GLN . 17.1 m -138.76 -19.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 p -137.73 172.63 12.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.931 0.396 . . . . 1.0 110.472 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.497 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 40.4 mm -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.484 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.516 ' NE2' HD11 ' A' ' 6' ' ' ILE . 1.5 mm-40 -55.24 -46.51 76.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.466 -0.493 . . . . 1.0 110.788 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' A' ' 65' ' ' SER . 84.4 mt-30 -59.69 -42.92 94.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.06 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -41.64 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.499 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.74 73.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.897 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.532 0.52 . . . . 1.0 111.022 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 64' ' ' ILE . 79.0 t -69.07 -42.0 81.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.623 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 54' ' ' ILE . 55.8 mt -59.09 -55.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.141 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.61 -29.4 17.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 1.0 110.836 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.03 95.04 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.599 HD12 HD12 ' A' ' 54' ' ' ILE . 95.4 mt -66.23 -37.72 86.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.628 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? -61.22 -40.12 92.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.32 -32.73 72.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.459 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -138.39 65.66 1.46 Allowed 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.106 0.479 . . . . 1.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -58.33 141.36 51.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.523 -179.754 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.237 -0.653 . . . . 1.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.428 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -82.34 156.93 23.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.743 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -59.21 -21.58 59.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.493 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.86 -44.72 65.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.473 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.9 m -63.31 -44.42 95.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.75 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.606 HD11 ' NE2' ' A' ' 68' ' ' GLN . 59.0 mt -56.59 -38.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.443 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.37 -40.57 96.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -61.6 -50.26 73.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.02 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.3 t -65.5 -46.19 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.445 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.6 p -59.21 -40.95 87.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.63 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.37 -46.39 90.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.484 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.11 -43.05 85.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 120.621 -0.432 . . . . 1.0 110.414 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 9' ' ' VAL . 68.8 t -64.92 -51.68 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.767 -178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -62.54 -36.78 83.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.943 0.402 . . . . 1.0 110.33 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 18' ' ' ALA . 91.8 mt-10 -70.26 -38.94 75.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 47' ' ' ASN . 18.5 mmmt -69.24 -36.44 77.19 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.486 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -88.44 -9.79 51.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.173 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' GLU . . . 180.0 -170.65 0.15 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.92 -0.312 . . . . 1.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.8 mt -74.4 -23.79 59.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.858 0.361 . . . . 1.0 110.523 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.03 53.09 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.13 58.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 1.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -97.05 4.34 51.44 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.566 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.61 133.74 68.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.317 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.9 t -117.86 131.02 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 1.0 109.959 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.46 133.9 61.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.892 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 162.99 26.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.235 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -23.34 66.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.467 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -88.14 -19.91 26.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.709 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.548 ' OG ' HD21 ' A' ' 34' ' ' LEU . 12.2 t -70.79 136.67 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 1.0 110.623 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -94.72 143.41 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.206 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 67' ' ' ILE . 78.2 m-85 -50.73 -33.68 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.701 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.28 -45.48 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.896 -0.322 . . . . 1.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.25 -35.28 79.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.62 179.734 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 ' OG ' ' A' ' 29' ' ' SER . 54.8 mt -65.48 -20.03 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.428 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.65 0.41 52.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.59 108.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.402 . . . . 1.0 110.449 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -92.74 -166.07 1.46 Allowed 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.287 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . . . -69.0 -40.24 78.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.174 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.1 mm? -66.09 -38.8 89.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.45 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 43' ' ' GLU . 98.7 m-20 -77.68 -44.86 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.772 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.8 m -46.0 -41.57 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.026 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -70.34 -32.88 51.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.32 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' ASP . 96.0 mt-10 -70.48 -37.18 74.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.771 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 mm -61.33 -51.03 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.962 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 46' ' ' MET . 7.5 p -65.98 -40.71 88.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.507 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.436 ' N ' HG13 ' A' ' 45' ' ' VAL . 53.0 ttm -55.97 -48.51 75.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.408 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 16' ' ' LYS . 2.6 m-80 -65.08 -42.69 93.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.696 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.69 -41.94 95.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.908 0.385 . . . . 1.0 110.581 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLY . 93.3 mt-10 -60.12 -42.25 94.36 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.472 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -74.26 -39.28 63.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.992 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 11.8 tm-20 -67.86 -42.32 81.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.94 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CD1' ' OE1' ' A' ' 51' ' ' GLU . 73.6 m-85 -95.84 -7.24 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.522 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' GLU . . . 60.27 47.31 91.73 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.43 163.42 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.649 0.262 . . . . 1.0 110.423 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.614 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -120.39 112.61 19.21 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.401 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -130.84 132.89 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.867 0.365 . . . . 1.0 110.023 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -82.27 150.68 27.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.283 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.35 -33.6 76.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 48.4 p-10 -62.9 -35.51 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.97 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.6 mptt -81.79 -14.36 56.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.861 0.362 . . . . 1.0 110.11 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.93 7.88 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.676 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -68.41 -38.15 81.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.902 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 27.3 p-10 -65.08 -6.76 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.38 125.29 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.449 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.3 p -120.44 -44.29 2.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.397 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.6 p -127.53 176.81 7.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.799 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.507 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 38.6 mm -58.97 -45.47 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.131 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.606 ' NE2' HD11 ' A' ' 6' ' ' ILE . 5.8 mm-40 -53.68 -41.68 67.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.571 -0.451 . . . . 1.0 110.108 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -59.27 -45.08 92.2 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.229 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.21 -41.72 85.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.489 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.72 -36.28 82.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.749 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.29 -39.44 92.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.37 -45.29 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.81 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.52 -56.8 14.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.184 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.457 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -48.22 -33.23 8.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.18 97.59 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.2 mt -64.13 -42.53 96.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 1.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 78' ' ' LEU . 4.1 mm? -62.53 -42.43 99.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.538 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -66.28 -38.87 88.81 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 81' ' ' LYS . 88.0 tttt -64.89 -72.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.661 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 80' ' ' LYS . 21.9 mmtp 42.22 -168.19 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.81 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.06 -0.971 . . . . 1.0 110.582 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PNS . . . . . 0.419 ' C34' ' O27' ' A' ' 101' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' DKA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_