data_2jww_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 2jww _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 ' 2' ' ' MET . . . . . 0.439 ' HE1' ' CB ' ' A' ' 46' ' ' VAL . 11.1 tpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.98 0.419 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.1 p -107.62 -27.41 10.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.47 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.67 -23.31 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.947 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.4 mm? -107.84 -64.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.63 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' CB ' HD11 ' A' ' 11' ' ' ILE . 77.4 mt -78.78 142.13 37.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 p -53.53 110.39 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.79 84.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.594 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 24.5 tt0 -63.98 -50.03 70.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.191 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.24 -54.19 28.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.205 0.526 . . . . 0.0 111.758 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.458 HD11 ' CB ' ' A' ' 6' ' ' LEU . 23.2 mt -56.86 -33.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.987 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -69.97 -45.63 66.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 1.3 mtpp -73.08 -52.2 15.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 111.044 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -56.0 -38.83 70.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.786 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.498 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 8.8 mt -74.19 -51.38 23.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.99 -4.86 81.56 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.694 -0.765 . . . . 0.0 114.719 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -91.57 -24.21 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.852 0.826 . . . . 0.0 111.995 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.27 105.29 12.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 111.776 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 20' ' ' ALA . 10.7 t -91.83 -47.74 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.522 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -99.18 -45.59 5.85 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 18' ' ' PHE . . . -48.38 -65.86 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 26.1 p-10 -59.29 -29.06 67.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -54.45 -25.68 26.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.155 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -92.81 -52.88 4.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -145.11 106.93 4.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 2.3 m80 -70.6 -10.92 60.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.466 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HD3' ' HB3' ' A' ' 88' ' ' ALA . 5.6 mmmt -47.77 -53.6 14.85 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.024 0.44 . . . . 0.0 110.41 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -59.05 -44.11 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 14.3 t80 -57.78 -34.42 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.279 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HA ' HG13 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -56.0 -28.87 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.004 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.437 ' HA ' ' HE2' ' A' ' 36' ' ' LYS . 44.3 mt-30 -84.19 -43.84 14.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.809 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.2 mmt -71.71 -32.72 68.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.417 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.456 HG13 ' HA ' ' A' ' 30' ' ' PHE . 8.3 p -66.15 -25.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.33 21.6 34.55 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.012 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 HD13 HG13 ' A' ' 33' ' ' VAL . 2.7 mt -71.59 -28.97 64.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 31' ' ' GLN . 28.6 mtmt -82.99 -23.14 33.46 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -30.3 11.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 6.0 mmpt? -114.72 -171.68 1.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.3 m -95.32 176.06 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.709 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.37 69.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.4 -49.9 76.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.026 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' LYS . 15.3 m-20 -58.95 -52.34 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.882 0.372 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 44' ' ' LYS . 27.8 m -60.79 -38.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.124 0.488 . . . . 0.0 110.361 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 19.2 tttm -59.75 -26.74 65.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.181 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HG3' ' HA ' ' A' ' 42' ' ' ASP . 9.4 mttm -55.08 -33.35 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.803 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CB ' ' HE1' ' A' ' 2' ' ' MET . 1.7 p -80.97 -28.5 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.9 t80 -57.54 -35.17 69.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.956 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -72.65 -29.32 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 45' ' ' LYS . 42.1 mm -70.63 -47.55 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.192 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' CA ' HD11 ' A' ' 66' ' ' ILE . 3.9 pp -84.46 -42.39 15.65 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.308 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.494 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . 8.3 t70 -87.2 49.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 0.0 111.377 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.78 -51.68 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.134 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.494 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.9 t70 -115.6 22.93 12.75 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HE2' ' CG2' ' A' ' 58' ' ' ILE . 23.7 mmmt -88.48 7.09 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.796 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.0 p 59.22 34.18 23.0 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.17 64.65 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.424 -0.894 . . . . 0.0 113.965 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CE2' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -165.65 149.8 8.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.723 0.773 . . . . 0.0 112.335 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.449 ' HB ' ' CD2' ' A' ' 63' ' ' LEU . 2.2 mp -104.25 147.31 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.073 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' HD3' ' A' ' 96' ' ' LYS . 9.4 mt-10 -97.96 128.42 44.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.792 0.806 . . . . 0.0 111.426 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 3.6 pt-20 -33.77 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 113.933 -1.485 . . . . 0.0 112.258 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 20.9 m-20 -70.86 -51.87 23.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 0.0 110.504 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -79.31 -18.11 53.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.503 179.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -49.44 -32.45 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 110.651 179.655 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.39 73.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.075 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 37.8 t -86.1 -61.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.453 HD11 ' CA ' ' A' ' 50' ' ' LEU . 9.2 tp -51.34 -24.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.48 HD11 ' CE2' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -45.42 -51.25 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.71 -15.34 0.17 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.35 -52.36 13.83 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.854 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' A' ' 67' ' ' LEU . 3.0 p90 -98.09 -43.6 6.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.714 0.769 . . . . 0.0 109.374 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' ALA . 2.4 m -73.56 2.39 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.335 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.51 -24.24 0.3 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.914 -0.491 . . . . 0.0 111.715 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.7 -24.03 20.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.843 0.354 . . . . 0.0 111.154 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -110.6 -161.13 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.456 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -79.35 -173.51 3.72 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.284 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.31 -179.93 3.81 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.644 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 85' ' ' LEU . 4.3 tp -72.41 108.88 5.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 m -94.96 -175.34 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.47 30.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 110.5 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 84' ' ' THR . 95.7 mttt -56.07 -53.66 54.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.009 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 85' ' ' LEU . 26.9 mt-10 -69.13 -37.61 78.42 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 88.5 m -54.54 -50.0 68.93 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.369 -0.933 . . . . 0.0 108.52 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -77.15 -31.92 55.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.461 177.599 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.7 m -88.21 -58.14 2.67 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 81' ' ' GLU . 52.1 tp -77.91 -48.98 15.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.452 ' CG ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.12 -52.11 51.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.596 -179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -61.19 -29.62 69.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.042 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.71 -64.59 1.12 Allowed 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.415 178.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.454 ' O ' HD22 ' A' ' 105' ' ' LEU . . . -45.17 -43.62 9.33 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.676 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 7.0 p-10 -82.41 39.44 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.746 0.419 . . . . 0.0 111.332 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 91' ' ' LYS . 1.9 tmtp? -28.75 -36.54 0.01 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASP . 5.9 m-20 -55.79 -18.05 7.57 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.07 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.07 52.3 8.02 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.591 -0.337 . . . . 0.0 112.899 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.2 1.27 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.343 0.127 . . . . 0.0 111.343 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.96 10.58 56.43 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.011 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 64.5 mttt -151.23 164.24 37.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.641 -0.28 . . . . 0.0 110.774 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.0 mt -126.03 117.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.645 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.27 -177.34 17.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.42 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.64 -33.71 11.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.898 0.38 . . . . 0.0 111.259 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.69 -51.24 23.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.261 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.424 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -73.32 -30.84 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.458 ' HA ' ' CG ' ' A' ' 105' ' ' LEU . 3.1 t80 -52.56 -25.53 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.469 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -78.43 -38.9 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.405 HG21 ' HB3' ' A' ' 91' ' ' LYS . 1.8 m -62.36 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.56 -27.3 10.53 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.053 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.8 t -68.7 -34.43 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.915 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.58 -26.92 37.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.75 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 0.1 OUTLIER -58.6 -79.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.228 179.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 20.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.951 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 2' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.863 0.364 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -96.8 -27.9 14.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.276 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.57 -27.59 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.421 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . 1.4 mt -102.69 -46.22 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 35' ' ' LEU . 28.3 mt -86.55 143.04 27.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.269 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -53.98 110.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.49 80.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.737 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.26 -48.24 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.272 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 1.3 m-20 -54.67 -52.65 61.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.43 0.633 . . . . 0.0 111.239 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.437 HD13 ' CB ' ' A' ' 6' ' ' LEU . 9.2 mt -56.33 -53.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.229 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -32.95 74.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.524 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mtpt -67.28 -53.78 26.73 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -70.98 -45.48 63.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.916 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.491 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 7.8 mt -57.67 -48.37 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.802 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.14 -19.59 69.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.761 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.28 -4.85 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -119.18 96.18 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.7 p -91.44 -48.66 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -99.76 -43.88 6.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.17 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . . . -39.26 -67.4 0.22 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.647 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -72.28 -21.83 61.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.083 0.468 . . . . 0.0 109.959 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.456 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.2 t -50.66 -44.93 57.74 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.85 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 5.7 p90 -96.06 -32.03 12.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.069 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -147.94 95.72 2.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.566 ' ND1' ' CD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -70.92 -19.13 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.223 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HD3' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -45.7 -53.5 9.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.937 0.399 . . . . 0.0 110.766 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -43.21 95.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 1.8 t80 -59.7 -27.57 66.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.668 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CD2' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -63.11 -26.89 69.04 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.228 0.537 . . . . 0.0 109.848 177.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.512 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.7 mt-30 -85.45 -45.63 11.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.2 mmt -72.23 -26.49 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.508 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.542 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 12.1 p -67.67 -24.53 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.57 21.37 40.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.455 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.523 ' CD2' HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -73.98 -36.95 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.651 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.512 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.8 mtpp -75.4 -23.14 57.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.748 178.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -43.26 -41.82 4.1 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.338 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 5' ' ' LEU . 11.0 ttmt -101.32 -144.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.865 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -118.79 160.93 20.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -50.67 -27.56 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.53 -56.74 7.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 7.8 m-20 -60.53 -48.48 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 111.035 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 16.9 m -61.79 -36.89 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 109.78 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 28.2 mttt -54.57 -29.32 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.307 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 18.3 mmtp -55.73 -41.66 74.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.028 -177.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.422 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 5.9 p -57.3 -26.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 23.6 t80 -49.46 -45.01 46.16 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -69.19 -29.44 67.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 0.0 109.78 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.5 mm -69.53 -50.71 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.748 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -86.61 -30.67 21.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.533 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' HD13 ' A' ' 50' ' ' LEU . 11.0 t70 -95.25 44.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 21.4 ptmt -70.23 -49.09 53.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.645 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 4.9 p-10 -113.5 -2.98 13.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.867 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 39.1 mmtm -59.47 -16.35 23.49 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.139 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 14.4 t 77.64 34.92 0.33 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.767 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.85 -9.21 57.35 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.464 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -134.87 135.5 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.004 0.402 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.454 ' CG2' HD23 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -104.56 120.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.163 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.9 mt-10 -103.46 133.12 49.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.808 -177.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -34.46 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.599 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' GLU . 7.1 m-20 -65.36 -51.34 61.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -88.11 -21.34 24.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.232 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.454 HD23 ' CG2' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -50.9 -48.46 60.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.907 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.469 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -66.06 -26.39 72.38 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.865 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 34.2 t -80.88 -60.42 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.339 0.59 . . . . 0.0 109.425 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.456 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.8 tp -51.5 -22.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.174 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.495 HD11 ' CE2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -46.15 -49.67 16.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.6 -13.02 0.11 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.13 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.05 21.04 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 119.534 -1.317 . . . . 0.0 110.484 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.495 ' CE2' HD11 ' A' ' 67' ' ' LEU . 1.1 p90 -98.15 -46.02 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.77 0.795 . . . . 0.0 109.229 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.4 m -71.02 2.13 4.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.065 -1.425 . . . . 0.0 113.696 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.3 p -44.93 -25.52 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.403 0.547 . . . . 0.0 111.582 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.421 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.4 m-20 -103.63 34.62 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.597 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -171.69 -158.88 0.14 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.332 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -84.4 -172.45 4.17 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.869 0.366 . . . . 0.0 111.467 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -119.55 -163.39 0.98 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.469 HD21 ' N ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -96.36 127.16 42.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' THR . 46.7 t -105.85 -169.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.0 111.045 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -48.73 -51.14 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 97.9 mttt -55.72 -44.24 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.795 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.3 mt-10 -75.24 -27.22 59.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.429 ' N ' HD13 ' A' ' 77' ' ' LEU . 96.0 m -63.57 -48.94 75.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 14.2 mmmm -75.89 -32.57 59.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.832 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' LYS . 91.3 m -87.95 -57.6 2.88 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 9.4 tp -78.26 -50.72 11.33 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.427 ' CE ' ' O ' ' A' ' 95' ' ' GLY . 7.0 ttp -65.81 -47.98 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.108 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -67.23 -36.96 82.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.97 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -59.39 -61.14 2.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.589 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.443 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -55.78 -42.45 85.61 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.477 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 92' ' ' ASP . 25.3 t70 -96.32 38.63 1.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -31.56 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ASP . 17.1 m-20 -57.83 -18.81 24.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.266 0.485 . . . . 0.0 111.097 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.5 64.13 2.33 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.571 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.34 -7.56 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' A' ' 86' ' ' MET . . . 87.33 -7.7 79.76 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.111 -1.042 . . . . 0.0 112.9 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -146.86 154.81 41.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.565 0.346 . . . . 0.0 110.274 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.42 HG21 HD12 ' A' ' 97' ' ' ILE . 57.2 mt -104.13 112.27 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.514 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.67 -176.4 46.97 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.755 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.467 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 12.6 p -65.68 -31.69 54.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.634 0.254 . . . . 0.0 111.367 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.416 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.5 OUTLIER -72.42 -54.05 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 110.578 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.451 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.16 -26.73 65.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.34 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -52.57 -28.66 21.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.01 0.434 . . . . 0.0 109.906 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.431 ' OG ' ' CB ' ' A' ' 40' ' ' ALA . 43.8 t -77.1 -36.46 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.086 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.455 HG21 ' CD ' ' A' ' 91' ' ' LYS . 70.5 m -60.45 -32.76 71.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.756 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -58.21 -35.08 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.53 -35.26 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.76 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.536 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.36 -69.24 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.211 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.528 ' CG ' ' HB ' ' A' ' 46' ' ' VAL . 5.5 mmt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.797 0.332 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.2 p -127.95 -40.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.373 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -84.87 -23.8 28.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 2.9 mp -100.25 -70.18 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.844 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' HB2' ' CB ' ' A' ' 2' ' ' MET . 63.1 mt -75.82 147.01 39.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.254 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -58.35 109.32 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.844 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.01 89.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.175 0.512 . . . . 0.0 110.875 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.43 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 25.6 tt0 -57.51 -41.51 80.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 1.5 m-20 -69.78 -52.27 26.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.435 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.446 HG12 ' CG2' ' A' ' 33' ' ' VAL . 7.4 mt -53.97 -34.73 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.374 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -70.09 -51.47 31.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.812 0.339 . . . . 0.0 110.617 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 31.8 mttt -69.46 -52.23 28.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.319 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.49 68.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.736 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.55 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 12.0 mt -66.94 -50.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.231 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.68 -4.47 72.91 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.603 -0.808 . . . . 0.0 114.111 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -81.43 -48.84 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.362 0.581 . . . . 0.0 111.891 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -136.68 63.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 112.032 -179.229 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 p -50.49 -47.42 57.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.265 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.72 -51.65 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.331 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 18' ' ' PHE . . . -51.45 -49.27 62.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.293 0.568 . . . . 0.0 109.883 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -66.16 -32.75 74.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.884 178.232 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -56.93 -54.26 48.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 25.4 p90 -96.2 -8.92 31.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.442 ' CA ' ' OE2' ' A' ' 81' ' ' GLU . 2.3 m-20 -170.35 92.74 0.2 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 22' ' ' ASP . 67.9 m-70 -70.16 -14.57 62.7 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.568 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -49.7 -52.0 34.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.702 0.287 . . . . 0.0 110.577 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -59.29 -47.17 86.38 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' ' CG1' ' A' ' 15' ' ' ILE . 36.0 t80 -54.76 -36.2 64.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.426 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.511 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -52.65 -32.24 41.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.264 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.501 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.1 mt-30 -83.77 -45.42 13.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.047 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.453 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -72.39 -34.38 67.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.494 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 14.5 p -64.65 -21.21 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.698 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.67 58.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.772 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -63.66 -33.6 75.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.7 mtpp -81.94 -23.13 36.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.584 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -48.44 -42.46 32.46 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.135 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 10.0 mmpt? -101.33 -179.86 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.899 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -86.99 162.57 17.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.279 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.49 -30.39 12.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.794 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 8.3 m-20 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 38' ' ' LYS . 8.1 m-20 -62.37 -52.92 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 46' ' ' VAL . 35.9 m -57.7 -38.49 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.622 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 72.8 mttt -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.466 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 1.2 mptm? -58.77 -53.12 61.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.108 0.48 . . . . 0.0 110.126 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.528 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 2.3 p -51.7 -25.83 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.979 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.507 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 36.4 t80 -51.84 -61.74 2.07 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.455 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -64.72 -33.04 75.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 46' ' ' VAL . 7.7 mt -53.49 -49.04 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.612 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 3.9 pp -87.88 -30.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.921 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.47 ' OD2' ' CD1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -120.13 58.93 0.9 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.177 -0.327 . . . . 0.0 110.987 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -35.1 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.587 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -114.13 26.06 10.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.761 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 71.4 mmtt -97.36 -3.11 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.9 t 76.19 11.65 2.86 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.15 16.3 35.72 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.378 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -155.67 135.13 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.589 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' A' ' 50' ' ' LEU . 3.4 mt -104.91 138.11 31.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.355 0.598 . . . . 0.0 110.885 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 62' ' ' GLU . 3.4 mm-40 -105.65 129.0 53.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.241 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' ' HE2' ' A' ' 86' ' ' MET . 0.0 OUTLIER -34.92 -32.71 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.471 -179.566 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.7 m-20 -66.56 -50.46 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 109.997 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 15.8 mm-40 -85.68 -19.55 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.526 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -52.3 -53.5 43.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.037 0.446 . . . . 0.0 110.42 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.424 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -60.88 -21.3 58.5 Favored Glycine 0 C--N 1.318 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.171 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.3 m -82.78 -61.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 5.5 tp -54.26 -18.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.438 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.421 ' HG ' ' HB3' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -44.13 -49.08 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.267 179.126 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -51.36 -16.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.62 -49.63 15.81 Favored Glycine 0 C--N 1.341 0.812 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.331 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 71' ' ' SER . 9.8 p90 -96.77 -51.07 4.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 78.7 p -67.63 2.96 1.56 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 113.985 -1.461 . . . . 0.0 114.478 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.3 p -44.83 -24.57 0.22 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.728 0.695 . . . . 0.0 111.504 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' HB3' HG22 ' A' ' 15' ' ' ILE . 5.7 t70 -95.26 -26.02 16.11 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 110.639 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -108.33 -166.97 1.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -83.95 -179.98 7.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.004 0.431 . . . . 0.0 111.736 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -93.02 -170.22 2.36 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.403 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -93.04 136.54 33.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.4 p -105.52 -175.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.61 -50.22 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.146 0.498 . . . . 0.0 110.81 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 84' ' ' THR . 6.6 mtpm? -50.57 -51.97 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.55 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.9 mm-40 -71.5 -32.45 68.23 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 m -55.65 -49.21 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 5.1 mmpt? -76.94 -43.21 36.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.084 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 86.6 m -74.55 -54.97 6.45 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -175.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' GLU . 3.6 mm? -73.85 -43.24 59.27 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.436 ' HE2' ' N ' ' A' ' 60' ' ' GLU . 14.2 mtp -72.75 -50.94 21.29 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.379 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -62.85 -30.2 71.33 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.944 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -70.13 -58.3 3.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.707 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.446 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -56.32 -35.76 66.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.294 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.0 p30 -95.01 38.79 1.12 Allowed 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 122.407 0.283 . . . . 0.0 110.718 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.32 -36.21 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -178.555 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -57.27 -18.33 16.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.717 0.294 . . . . 0.0 111.42 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.26 60.09 2.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 116.395 -0.366 . . . . 0.0 112.888 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -113.61 -9.54 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.15 -26.12 9.23 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.212 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -126.35 157.25 38.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.546 0.338 . . . . 0.0 110.263 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.405 HG21 HD12 ' A' ' 97' ' ' ILE . 33.0 mt -106.3 112.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.045 0.45 . . . . 0.0 111.616 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.83 25.83 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.743 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.507 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 10.8 p -47.86 -35.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -54.35 9.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.47 0.652 . . . . 0.0 110.158 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -59.61 -32.72 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.11 -179.654 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -52.2 -25.43 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.197 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.3 p -70.27 -45.1 67.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.504 HG21 ' CB ' ' A' ' 91' ' ' LYS . 88.1 m -58.19 -38.53 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.219 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.511 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -53.01 -36.71 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.414 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.82 -42.14 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.37 -26.57 46.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.55 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -57.39 -69.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.755 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 7.2 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.443 ' HE1' ' CA ' ' A' ' 46' ' ' VAL . 6.1 tpp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.847 0.356 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.9 m -110.28 -43.95 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.04 -17.4 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mt -108.21 -70.77 0.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.191 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' CB ' HD11 ' A' ' 11' ' ' ILE . 56.6 mt -84.8 140.93 30.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.428 ' OG ' ' CB ' ' A' ' 10' ' ' ASP . 7.2 p -52.65 110.21 0.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.22 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.35 -41.67 84.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 11.0 t0 -56.01 -52.54 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.44 HD11 ' CB ' ' A' ' 6' ' ' LEU . 10.8 mt -56.53 -53.69 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.134 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.49 -45.14 94.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.477 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 15.6 mtpp -64.08 -52.44 59.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.284 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.05 85.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.779 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.534 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 8.7 mt -54.47 -48.65 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -9.13 58.05 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.593 -0.813 . . . . 0.0 114.146 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -64.78 -57.07 9.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.512 0.656 . . . . 0.0 111.688 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -134.17 70.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.8 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 p -41.73 -34.73 0.66 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 111.422 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -49.49 -43.67 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 18' ' ' PHE . . . -48.76 -64.97 0.65 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.074 0.464 . . . . 0.0 110.024 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.16 -22.54 66.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.686 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 3.3 t -61.78 -53.92 49.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.725 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 26.3 p90 -95.47 -41.18 9.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.471 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.6 m-20 -152.6 107.75 3.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 111.761 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -69.86 -14.32 62.69 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -50.7 -51.09 52.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -59.71 -44.21 93.79 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 27.7 t80 -57.27 -37.0 71.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.218 178.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.6 -28.47 21.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.194 0.521 . . . . 0.0 109.691 178.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 37.2 mt-30 -83.31 -49.05 9.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.17 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.478 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 14.0 mmt -71.67 -27.73 63.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.899 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.486 HG21 ' CZ ' ' A' ' 29' ' ' PHE . 14.2 p -70.59 -24.98 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.425 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' OD2' ' A' ' 10' ' ' ASP . . . 89.27 20.53 45.09 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.598 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -70.84 -26.98 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.255 0.55 . . . . 0.0 109.732 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.3 mtpp -83.77 5.95 23.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.705 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -52.14 -55.33 21.64 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 110.719 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -124.63 -173.21 2.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.281 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 m -55.1 173.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.24 -20.13 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -63.07 -44.87 94.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 5.0 m-20 -61.03 -52.53 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.709 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 28.6 m -61.04 -42.1 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.306 0.574 . . . . 0.0 110.423 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' CE ' HG11 ' A' ' 99' ' ' VAL . 34.8 ttmt -52.47 -30.3 29.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.754 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 1.7 mptm? -58.9 -45.29 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.777 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' CA ' ' HE1' ' A' ' 2' ' ' MET . 1.5 p -62.58 -27.43 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CD1' ' CE1' ' A' ' 102' ' ' PHE . 10.0 t80 -60.79 -30.5 70.09 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -72.35 -30.73 65.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.51 -48.51 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.206 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.0 pp -86.44 -35.18 19.84 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.424 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' HD13 ' A' ' 50' ' ' LEU . 11.7 t70 -106.42 52.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.664 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.6 -54.33 12.43 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.505 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 4.0 p30 -116.62 23.17 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 55' ' ' SER . 26.6 tptp -84.28 -1.54 55.47 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 8.4 t 82.83 15.06 0.38 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 -13.36 54.35 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.397 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 86.6 m-85 -128.33 127.52 42.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.532 ' HB ' ' CD2' ' A' ' 63' ' ' LEU . 7.3 mt -104.14 142.22 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.419 0.628 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -104.68 142.4 34.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.514 -176.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.465 ' N ' HD13 ' A' ' 63' ' ' LEU . 1.8 pt-20 -38.13 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.344 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 m-20 -69.15 -51.78 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.66 0.267 . . . . 0.0 111.195 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -85.27 -26.76 26.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 110.094 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.532 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 16.0 mt -46.67 -49.8 18.75 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.685 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -68.37 -26.48 74.24 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 54.6 m -82.56 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 0.0 109.574 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.456 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 7.5 tp -56.72 -16.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.955 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.505 HD12 ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -61.12 -44.4 97.4 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -59.51 -8.3 1.82 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.572 -0.451 . . . . 0.0 112.151 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' HD3' ' A' ' 68' ' ' LYS . . . -49.22 -43.68 33.71 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.422 -1.37 . . . . 0.0 110.12 176.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.505 ' CZ ' HD12 ' A' ' 67' ' ' LEU . 2.5 p90 -97.31 -47.83 5.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.224 0.535 . . . . 0.0 109.681 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 15' ' ' ILE . 7.7 m -71.07 -0.14 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.505 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.9 p -46.49 -25.25 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -96.76 27.66 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.229 0.538 . . . . 0.0 110.572 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -150.47 -79.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.269 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.404 ' NH1' ' OG ' ' A' ' 23' ' ' SER . 13.3 ptp180 -170.18 -158.59 0.17 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.04 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -111.7 -173.55 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.339 0.59 . . . . 0.0 112.106 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CB ' ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -117.79 84.65 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.966 -179.594 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.0 p -69.99 -173.72 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.74 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -48.63 29.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.288 0.566 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.8 ttmt -50.16 -52.98 30.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.235 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.4 mm-40 -71.02 -30.82 67.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.673 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 86' ' ' MET . 62.8 m -61.5 -48.73 79.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 15.7 mmtp -75.33 -28.48 59.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.145 177.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.456 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 86.8 m -87.51 -57.49 2.93 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.529 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 46.3 tp -81.66 -52.03 7.59 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.42 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 9.3 tpp -60.92 -51.47 69.13 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.304 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -54.63 -25.81 28.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.687 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' CA ' ' OE1' ' A' ' 108' ' ' GLU . . . -78.04 -59.37 2.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.235 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.434 ' CA ' HD22 ' A' ' 105' ' ' LEU . . . -50.25 -44.63 43.9 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.622 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.4 p30 -89.79 38.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.541 0.336 . . . . 0.0 110.239 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.418 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -30.05 -34.5 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.533 1.133 . . . . 0.0 113.451 -178.706 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.4 m-20 -54.71 -19.97 7.34 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.636 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.07 50.78 3.36 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 116.278 -0.419 . . . . 0.0 113.621 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -113.3 -10.59 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.8 0.3 . . . . 0.0 111.417 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.39 -14.47 28.76 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.57 -0.824 . . . . 0.0 114.436 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 80.7 mttt -121.58 142.55 50.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.823 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 97' ' ' ILE . 27.6 mt -105.48 140.46 23.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 47' ' ' PHE . . . -146.4 -171.78 16.1 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.956 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.404 HG11 ' CE ' ' A' ' 44' ' ' LYS . 24.4 t -48.28 -61.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 0.0 110.988 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.6 -51.24 67.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.235 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -29.24 69.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.953 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -54.63 -22.58 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -73.84 -42.77 60.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.069 0.461 . . . . 0.0 109.862 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.408 HG21 ' HB3' ' A' ' 91' ' ' LYS . 40.6 m -61.5 -42.13 98.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.571 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.499 HD11 ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -52.94 -28.26 22.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.559 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.3 t -68.84 -37.96 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.012 0.434 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.45 -22.92 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.883 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.417 ' OE1' ' CA ' ' A' ' 88' ' ' ALA . 12.5 mm-40 -64.96 -72.11 0.16 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.162 0.506 . . . . 0.0 111.354 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 3.3 t . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.441 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 3.6 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.401 HG21 ' HB3' ' A' ' 8' ' ' ALA . 60.9 m -100.33 -34.49 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.9 -22.63 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.403 HD13 ' CB ' ' A' ' 45' ' ' LYS . 24.8 mt -85.5 -64.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.154 0.502 . . . . 0.0 111.101 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -89.12 173.07 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.414 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 1.4 m -76.02 110.36 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.143 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' HG21 ' A' ' 3' ' ' THR . . . -57.25 -36.29 70.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.455 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.13 -44.83 71.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.429 ' OD1' ' CB ' ' A' ' 7' ' ' SER . 1.2 m-20 -62.19 -52.6 63.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 111.674 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.452 HG12 ' CG2' ' A' ' 33' ' ' VAL . 4.4 mt -55.5 -51.33 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -58.36 -49.38 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.406 . . . . 0.0 110.547 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 80.1 mttt -63.27 -50.05 71.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . . . -66.02 -51.84 54.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.979 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.527 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 8.2 mt -55.92 -35.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.669 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.07 -45.39 3.87 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.283 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -62.99 -20.98 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 11.3 m-85 -89.82 99.45 12.45 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 23' ' ' SER . 9.3 t -91.5 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -99.69 -56.58 2.35 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.391 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -42.53 -66.36 0.37 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 111.799 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' CE1' ' A' ' 26' ' ' HIS . 9.7 t70 -61.88 -19.63 62.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.452 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -67.63 -52.94 32.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.561 179.44 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 31.5 p90 -96.74 -11.17 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 38.0 t70 -164.03 95.73 0.78 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 61.6 m80 -71.35 -12.68 61.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.84 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' N ' HD13 ' A' ' 85' ' ' LEU . 1.2 mtpp -46.9 -54.1 10.73 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.273 -0.267 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.06 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CZ ' ' CG1' ' A' ' 15' ' ' ILE . 21.2 t80 -51.93 -33.29 36.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.819 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.523 ' CZ ' ' CD2' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.32 -33.58 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.841 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 21.1 mt-30 -84.0 -42.94 15.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.425 ' HE3' ' N ' ' A' ' 32' ' ' MET . 20.9 mmt -72.15 -33.43 67.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.567 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.486 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 13.2 p -66.04 -23.88 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.173 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.83 13.53 49.79 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 2.0 mt -63.81 -33.16 75.05 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.4 mtpp -90.01 -15.72 31.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.494 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -38.62 -35.54 0.2 Allowed 'General case' 0 C--N 1.34 0.185 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -121.31 -99.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -146.31 178.88 7.91 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.79 0.328 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -65.4 -28.85 69.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.183 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 3.0 p30 -63.92 -50.16 69.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 11.8 m-20 -55.37 -52.63 62.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.26 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 27.8 m -61.0 -35.42 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.366 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.0 ttpt -50.38 -29.68 10.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.415 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HE2' ' CA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -56.78 -50.76 71.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.426 -178.376 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.422 ' HB ' ' HG3' ' A' ' 2' ' ' MET . 2.0 p -55.12 -27.56 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.96 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.491 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 31.5 t80 -51.73 -49.27 62.87 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.482 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -67.62 -27.47 66.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.318 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -69.31 -49.36 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.47 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.6 pp -88.07 -26.42 22.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.914 -178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t70 -90.21 -2.76 58.08 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 49.5 pttt -47.06 -38.46 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 28.8 m-20 -110.23 26.27 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.409 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 71.8 mmtt -115.81 10.47 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.795 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.6 p 57.39 17.34 3.71 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.424 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . 101.29 -4.54 55.02 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.258 -0.973 . . . . 0.0 113.894 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 37.1 m-85 -138.88 133.11 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.31 0.555 . . . . 0.0 111.611 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' HD13 ' A' ' 50' ' ' LEU . 2.2 mt -103.0 129.79 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 63' ' ' LEU . 11.4 tt0 -103.35 145.89 29.29 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.834 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HA ' ' HG3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -45.2 -45.52 11.72 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.57 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.36 -51.23 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.076 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -78.06 -13.21 59.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -57.59 -42.93 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.306 -179.236 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.431 ' CA ' HD21 ' A' ' 77' ' ' LEU . . . -65.64 -25.48 71.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.69 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 m -81.94 -58.25 3.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.217 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.452 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.6 tp -61.85 -16.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.583 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -56.78 -32.11 65.32 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.458 0.646 . . . . 0.0 110.686 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.53 -21.76 1.06 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.957 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.61 -53.6 7.0 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.636 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.496 ' CE2' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -96.97 -41.61 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.51 178.37 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' ALA . 28.4 p -70.5 0.47 6.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.821 -1.081 . . . . 0.0 113.157 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.0 t -46.06 -25.76 0.63 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 122.083 -0.386 . . . . 0.0 111.071 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.408 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 7.7 t70 -90.7 -30.21 17.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.058 0.456 . . . . 0.0 110.141 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -91.73 -152.61 0.3 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.413 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 76' ' ' ASP . 55.7 mtp180 -91.99 -91.25 0.16 Allowed 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.324 -0.235 . . . . 0.0 111.411 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 1.4 p30 168.5 139.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 111.456 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -46.95 92.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.423 178.669 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.8 p -75.83 -171.96 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.43 24.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.094 0.473 . . . . 0.0 110.852 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 84' ' ' THR . 54.8 mtmt -50.62 -53.94 26.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.302 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.5 mm-40 -72.19 -26.64 62.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 60' ' ' GLU . 52.0 m -61.72 -52.29 64.88 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.211 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -77.76 -28.19 50.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.441 177.61 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.458 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 87.8 m -87.98 -57.33 2.97 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 81' ' ' GLU . 3.7 mm? -77.73 -49.24 14.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.454 ' HG3' ' HA ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -65.81 -50.9 62.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.388 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -60.66 -31.7 70.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.139 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -81.78 -59.18 2.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.726 0.298 . . . . 0.0 110.22 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' CA ' HD11 ' A' ' 105' ' ' LEU . . . -48.36 -35.39 14.99 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.446 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.4 p-10 -95.59 38.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.421 ' CG ' ' OE2' ' A' ' 108' ' ' GLU . 1.3 tmtm? -29.1 -35.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.543 1.137 . . . . 0.0 113.751 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' ASP . 18.1 t70 -55.34 -19.04 7.64 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.021 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 57.9 3.26 Favored Glycine 0 C--N 1.335 0.503 0 C-N-CA 121.544 -0.36 . . . . 0.0 113.281 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.6 -9.73 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 78.06 -4.5 57.94 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.326 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -140.43 147.27 39.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' ILE . 40.1 mt -104.97 113.53 42.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.961 0.41 . . . . 0.0 111.245 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.48 171.7 17.68 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.491 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 7.9 p -47.71 -39.33 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.66 -48.53 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -32.74 72.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.42 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -52.68 -30.45 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.0 t -69.97 -43.06 72.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.402 HG21 ' HB3' ' A' ' 91' ' ' LYS . 32.2 m -57.88 -36.66 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.073 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 11.0 tp -59.02 -36.52 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.16 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.94 -35.31 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.908 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.71 -37.71 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.668 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.445 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 15.9 mm-40 -49.87 -71.01 0.07 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 110.648 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 7.5 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.429 ' CE ' ' HG ' ' A' ' 6' ' ' LEU . 9.4 tpt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.447 HG22 ' CB ' ' A' ' 8' ' ' ALA . 25.2 p -96.99 -21.48 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.494 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -69.56 -35.27 75.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.991 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 1.6 mm? -101.0 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' CB ' HD11 ' A' ' 11' ' ' ILE . 68.8 mt -74.41 137.88 42.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 2.0 p -54.47 110.3 0.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.447 ' CB ' HG22 ' A' ' 3' ' ' THR . . . -60.58 -41.7 95.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -64.76 -48.94 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.13 -53.22 59.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.418 0.628 . . . . 0.0 111.531 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.448 HD11 ' CB ' ' A' ' 6' ' ' LEU . 10.5 mt -55.76 -53.38 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.201 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.99 -33.37 71.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 16.2 mtpp -73.45 -52.53 13.35 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.386 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -34.29 75.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.732 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.562 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 10.7 mt -73.7 -41.89 54.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.475 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.68 -4.64 59.09 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.617 -0.801 . . . . 0.0 114.485 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -90.55 -50.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.909 0.855 . . . . 0.0 112.636 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -133.79 63.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.436 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.5 p -41.98 -37.53 1.37 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -46.7 -38.77 10.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.909 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . . . -51.73 -66.47 0.38 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.063 0.458 . . . . 0.0 109.837 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.49 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 14.4 t70 -59.76 -21.05 60.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.618 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 1.5 t -66.92 -58.28 5.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 36.0 p90 -95.79 -39.58 9.78 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.5 m-20 -148.34 98.74 2.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 111.47 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -70.07 -18.99 63.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.91 -52.11 15.25 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.099 -0.376 . . . . 0.0 110.15 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' CA ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -60.65 -46.8 88.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.136 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 1.6 t80 -55.36 -29.43 58.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.172 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.602 ' CD2' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -64.45 -27.4 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.82 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 48.2 mt-30 -83.16 -52.72 6.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.751 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.447 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 22.4 mtt -68.64 -29.37 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 111.238 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.561 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 11.3 p -65.86 -24.55 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 87.27 24.13 38.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.665 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 30' ' ' PHE . 3.9 mt -70.09 -27.97 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.155 0.503 . . . . 0.0 109.766 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -92.28 -6.8 49.67 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 178.674 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -44.05 -28.39 0.48 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -133.93 -100.99 0.25 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.489 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m -146.22 179.18 7.68 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.799 0.333 . . . . 0.0 111.367 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 43' ' ' VAL . . . -62.7 -31.75 72.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.97 -36.94 85.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' CE ' ' A' ' 2' ' ' MET . 7.6 m-20 -69.81 -52.48 24.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.576 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.44 ' CG1' HD23 ' A' ' 6' ' ' LEU . 35.4 m -61.0 -36.12 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.7 mttm -52.01 -27.14 12.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.182 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' CG ' ' HG ' ' A' ' 5' ' ' LEU . 14.2 mptt -56.12 -29.37 60.59 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.048 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.06 -33.37 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.4 t80 -55.75 -33.84 64.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.058 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -72.32 -27.29 62.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 45' ' ' LYS . 23.4 mm -78.17 -49.36 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.2 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 66' ' ' ILE . 16.1 mt -79.07 -41.72 28.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.935 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.531 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . 12.1 t70 -106.73 47.75 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.98 -49.77 41.67 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.483 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.7 p30 -115.62 19.65 15.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -90.73 12.32 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m 66.19 34.86 6.4 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.03 3.84 57.38 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.375 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -139.9 134.32 31.45 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.757 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.453 ' HB ' ' CD2' ' A' ' 63' ' ' LEU . 10.8 mt -104.4 142.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.879 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.4 mt-10 -103.39 133.19 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.813 0.816 . . . . 0.0 111.805 -177.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 86' ' ' MET . 2.0 pt-20 -33.93 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.176 -1.375 . . . . 0.0 113.086 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.2 m-20 -70.1 -52.01 27.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -83.75 -17.65 40.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -51.55 -54.55 26.22 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.406 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.03 -19.69 70.17 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.239 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 33.8 t -87.95 -55.96 3.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.525 0.679 . . . . 0.0 109.898 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 3.7 tp -64.3 -17.75 21.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.872 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.504 ' HG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -53.42 -22.87 8.44 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.263 0.554 . . . . 0.0 110.708 178.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 72' ' ' SER . 47.7 mtpt -49.31 -18.99 0.43 Allowed 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.995 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.437 ' HA3' HD21 ' A' ' 50' ' ' LEU . . . -41.58 -50.56 4.8 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.034 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.504 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.71 -53.3 3.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.641 0.734 . . . . 0.0 109.773 177.117 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 p -70.82 1.84 4.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.7 p -44.79 -23.9 0.17 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.369 0.531 . . . . 0.0 111.877 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -120.53 51.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.44 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -162.58 -91.45 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -150.38 -170.52 3.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.73 0.3 . . . . 0.0 111.304 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -128.14 150.12 50.12 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.119 0.485 . . . . 0.0 111.959 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -68.75 112.89 5.75 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.974 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' THR . 39.3 t -102.59 -165.21 1.16 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.738 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -52.21 20.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.498 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -53.19 -47.82 68.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.206 0.527 . . . . 0.0 110.097 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . 2.0 mm-40 -72.47 -24.93 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.669 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' SER . 36.3 m -61.95 -50.73 70.97 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 10.8 mtpp -76.92 -30.3 56.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.043 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 58.5 m -87.35 -56.6 3.29 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 81' ' ' GLU . 3.5 mm? -80.48 -53.15 6.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 60' ' ' GLU . 32.9 mtt -61.01 -50.95 71.3 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 119.131 -1.028 . . . . 0.0 110.183 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -58.17 -25.58 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.004 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.2 -65.45 1.01 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.004 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.481 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -52.37 -34.31 41.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.662 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' ASP . 39.2 t0 -95.19 38.22 1.14 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.051 -0.575 . . . . 0.0 110.973 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.505 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -31.16 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.518 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.9 t70 -56.34 -19.84 16.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.536 0.208 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.47 48.97 5.1 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.757 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -113.84 -10.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.105 0.453 . . . . 0.0 111.745 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.418 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 87.42 -25.07 8.51 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.394 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 73.9 mttt -115.2 144.53 43.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.409 0.284 . . . . 0.0 110.51 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.444 HG21 HD12 ' A' ' 97' ' ' ILE . 36.5 mt -105.0 111.76 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.345 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.61 -160.8 35.27 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.653 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.488 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 9.9 p -68.42 -37.91 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.751 0.31 . . . . 0.0 111.248 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -72.93 -53.49 11.16 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.375 0.607 . . . . 0.0 110.252 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -38.04 66.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.399 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.11 -25.45 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 109.952 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.8 m -73.24 -45.49 55.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.327 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.505 HG21 ' CB ' ' A' ' 91' ' ' LYS . 89.0 m -57.63 -36.91 72.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 110.438 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.484 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -55.58 -37.4 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.36 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.96 -37.48 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.347 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.0 -27.95 39.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.389 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.83 -69.97 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.784 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.44 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.433 ' HE2' ' O ' ' A' ' 42' ' ' ASP . 9.7 tpt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.975 0.417 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.412 HG21 ' HB1' ' A' ' 8' ' ' ALA . 92.8 m -116.54 -27.13 6.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.593 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.525 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 5.4 mp -109.92 -66.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.353 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' CB ' HD12 ' A' ' 11' ' ' ILE . 76.9 mt -73.98 137.42 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.344 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.7 m -64.2 111.11 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.841 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HB1' HG21 ' A' ' 3' ' ' THR . . . -52.58 -27.07 15.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.223 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HG3' ' HD3' ' A' ' 13' ' ' LYS . 4.3 tp10 -69.29 -48.73 60.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.508 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -53.28 60.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.521 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.439 HD12 ' CB ' ' A' ' 6' ' ' LEU . 25.7 mt -56.13 -53.25 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -59.62 -31.81 69.84 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.16 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 38.8 mtpt -70.94 -53.28 15.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.163 0.506 . . . . 0.0 110.763 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -69.35 -40.57 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.764 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.491 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 10.5 mm -55.77 -48.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.433 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.63 -38.99 4.53 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 115.345 0.898 . . . . 0.0 115.345 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -36.77 -43.02 0.41 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.537 ' CG ' ' CB ' ' A' ' 21' ' ' ALA . 6.2 p90 -118.12 146.91 43.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.368 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 m -93.47 -49.75 5.76 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -98.68 -13.1 20.44 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' CB ' ' CG ' ' A' ' 18' ' ' PHE . . . -46.7 -44.14 18.42 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.661 0.664 . . . . 0.0 111.474 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.52 ' CB ' ' CD2' ' A' ' 26' ' ' HIS . 7.2 p-10 -70.03 -33.01 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.2 t -69.96 -28.39 65.52 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.558 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 91.9 t80 -95.85 -55.77 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.421 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -162.65 104.81 1.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.217 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -66.23 -9.56 33.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.59 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 1.8 mptt -44.86 -56.28 4.67 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.32 0.581 . . . . 0.0 110.579 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.71 -48.95 79.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.428 179.034 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CD2' ' CD2' ' A' ' 26' ' ' HIS . 41.4 t80 -49.78 -39.1 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.008 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.503 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -57.93 -32.94 68.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.55 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 16.6 mt-30 -84.04 -39.57 19.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.7 mmm -71.93 -35.71 69.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 111.222 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.485 HG11 ' CD1' ' A' ' 35' ' ' LEU . 7.6 p -64.99 -24.58 35.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.74 22.65 42.05 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.944 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' HG11 ' A' ' 33' ' ' VAL . 1.5 mp -70.5 -34.69 72.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 4.3 mtpp -75.63 -10.81 59.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.891 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -45.15 -55.07 6.09 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.28 -172.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.814 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -72.2 171.69 11.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.147 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HA ' HG21 ' A' ' 43' ' ' VAL . . . -55.74 -26.88 47.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.85 -40.73 96.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.961 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' ' HE2' ' A' ' 2' ' ' MET . 16.0 t70 -65.01 -53.0 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 23.3 m -61.29 -35.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.391 0.615 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 50.4 tttm -50.46 -26.35 4.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.636 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 5.8 mptp? -58.72 -47.41 84.68 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.048 -0.407 . . . . 0.0 110.654 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.425 ' HB ' ' HG2' ' A' ' 2' ' ' MET . 5.7 p -61.92 -27.51 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 40.5 t80 -68.53 -32.75 72.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.586 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.29 -32.73 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 45' ' ' LYS . 6.2 mm -69.58 -49.3 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.955 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 3.9 pp -82.19 -43.71 17.33 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.543 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.525 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . 10.1 t70 -93.36 45.56 1.17 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.563 0.22 . . . . 0.0 111.52 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.15 -52.1 26.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.712 0.291 . . . . 0.0 111.296 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 4.5 p-10 -116.43 4.93 13.39 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.462 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 55' ' ' SER . 3.1 tppp? -61.47 -13.31 19.7 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 5.8 p 90.89 17.82 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.054 0.541 . . . . 0.0 112.417 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.65 -13.08 54.35 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.931 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.412 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 96.3 m-85 -130.88 125.91 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.281 0.541 . . . . 0.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.431 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 3.7 mt -104.78 136.83 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 121.321 0.582 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -102.44 122.73 44.89 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.84 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 0.0 OUTLIER -36.48 -33.44 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.015 -1.448 . . . . 0.0 112.574 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 6.6 m-20 -64.62 -50.22 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.431 . . . . 0.0 110.353 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 1.4 mp0 -89.0 -16.21 32.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.389 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.501 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.1 OUTLIER -54.24 -30.34 49.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.437 ' HA2' HD22 ' A' ' 77' ' ' LEU . . . -66.16 -25.96 72.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.554 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 t -84.16 -55.52 4.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.813 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 8.4 tp -59.72 -17.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.018 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.527 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -50.62 -25.01 3.7 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.981 0.419 . . . . 0.0 111.422 179.474 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.1 mttp -49.11 -20.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.244 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.05 -54.89 5.91 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.136 -1.03 . . . . 0.0 111.964 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.527 ' CE2' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.38 -39.9 8.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.864 0.84 . . . . 0.0 110.038 178.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ALA . 25.0 p -77.51 2.75 15.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.167 -1.379 . . . . 0.0 113.18 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.2 t -45.3 -26.36 0.51 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.084 -0.385 . . . . 0.0 111.199 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -110.12 40.32 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.235 0.541 . . . . 0.0 109.85 178.178 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -169.43 -160.16 0.25 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.192 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -88.99 -151.47 0.22 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.008 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 8.8 m-20 -142.42 -179.75 6.47 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.262 0.553 . . . . 0.0 111.603 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.454 HD13 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -68.35 131.47 45.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.761 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.2 m -103.89 -172.81 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.05 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.94 -51.12 24.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 84' ' ' THR . 59.0 mttp -55.03 -50.53 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.412 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.5 mm-40 -66.2 -28.12 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.789 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 58.8 m -59.35 -53.09 62.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.401 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 30.5 mmmt -78.89 -29.72 44.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.138 177.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 59.3 m -87.51 -58.1 2.7 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.438 ' HG ' ' HB2' ' A' ' 26' ' ' HIS . 2.1 mm? -77.81 -49.92 13.35 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.501 ' CE ' ' CD2' ' A' ' 63' ' ' LEU . 2.0 mmm -73.12 -49.73 26.69 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.226 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -61.66 -35.42 77.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.16 -39.07 50.37 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.108 0.48 . . . . 0.0 110.17 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.518 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -67.17 -32.11 79.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.61 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 93' ' ' GLY . 7.5 p30 -93.76 37.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.595 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.5 tmtt? -33.61 -54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.75 37.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.004 0.43 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -128.67 -171.74 13.04 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.707 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -114.05 18.23 17.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 0.0 111.194 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.96 30.96 2.6 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.757 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -151.15 142.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -109.73 110.75 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.768 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.54 -154.5 29.67 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.415 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 11.6 p -67.76 -34.87 70.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.415 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.99 -54.07 8.7 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.367 0.604 . . . . 0.0 111.009 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -28.36 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.295 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 7.6 t80 -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.343 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 86.6 p -78.77 -34.71 45.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.681 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 91' ' ' LYS . 44.4 m -57.16 -50.2 73.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.85 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.518 ' HB2' ' CA ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -59.0 -24.99 63.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.646 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.415 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 57.9 t -61.06 -39.96 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 121.082 0.467 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.31 -25.85 55.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.309 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.92 -69.2 0.29 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.24 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.474 ' CG ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.939 0.399 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -89.24 -25.66 21.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.39 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -68.22 -29.9 68.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.476 ' CD1' ' CD ' ' A' ' 45' ' ' LYS . 1.7 mm? -102.25 -67.47 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 6' ' ' LEU . 1.4 mt -75.72 156.99 34.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.312 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.431 ' CB ' ' OD1' ' A' ' 10' ' ' ASP . 5.4 m -67.74 111.28 4.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.943 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.19 -31.13 61.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.217 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 10.9 pt-20 -74.9 -48.79 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 1.1 m-20 -52.69 -52.65 55.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.362 0.601 . . . . 0.0 111.106 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.442 HG12 ' CG2' ' A' ' 33' ' ' VAL . 57.9 mt -59.87 -53.96 41.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.477 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -60.48 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 37.4 mttm -63.49 -52.35 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.867 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 32' ' ' MET . . . -62.63 -48.95 77.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.485 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 6.4 mt -54.07 -46.18 66.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.01 -4.01 60.26 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.791 -0.718 . . . . 0.0 114.052 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -76.73 -42.31 41.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.541 0.67 . . . . 0.0 112.074 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -146.73 140.28 25.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 p -87.46 -16.2 35.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB2' ' CD2' ' A' ' 18' ' ' PHE . . . -45.71 -28.65 1.06 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 29' ' ' PHE . . . -52.71 -64.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.229 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 3.5 p30 -78.32 -23.26 47.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.6 t -66.83 -66.02 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.479 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 10.7 p90 -97.35 -51.34 4.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' A' ' 24' ' ' PHE . 47.0 t0 -170.37 126.53 0.78 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 22' ' ' ASP . 89.1 m-70 -70.76 -10.38 59.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.777 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HG3' ' HA ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -46.61 -50.14 17.94 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 122.24 0.216 . . . . 0.0 111.329 -178.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HE3' ' NE2' ' A' ' 31' ' ' GLN . 4.9 mmpt? -65.34 -44.89 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 33.8 t80 -54.33 -31.2 53.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.224 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CE1' ' CD1' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -59.79 -30.99 69.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.175 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.521 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 28.5 mt-30 -83.87 -42.5 16.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.026 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.419 ' HG3' ' HA ' ' A' ' 29' ' ' PHE . 1.4 mtp -73.67 -33.19 64.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 30' ' ' PHE . 13.5 p -65.46 -24.96 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.919 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 10.94 45.58 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.374 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -65.45 -32.69 74.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 11.2 mtpp -83.88 10.35 9.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.279 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' HB3' ' NZ ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.32 -49.32 61.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.871 0.367 . . . . 0.0 110.524 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -136.65 -161.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.7 179.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.368 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HA ' HG21 ' A' ' 43' ' ' VAL . . . -67.23 -10.48 51.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.824 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.76 -43.25 99.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.16 -52.04 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 33.5 m -61.08 -39.43 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.512 . . . . 0.0 110.686 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 82.5 mttt -63.14 -32.47 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.287 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' CD ' ' CD1' ' A' ' 5' ' ' LEU . 50.4 mttm -67.7 -58.43 4.66 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 12.1 p -54.67 -27.97 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.996 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' A' ' 102' ' ' PHE . 21.8 t80 -76.6 -32.52 58.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.682 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 44' ' ' LYS . 24.7 m80 -68.5 -36.52 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.075 0.464 . . . . 0.0 109.84 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.67 -50.32 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.904 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD1' ' CD1' ' A' ' 58' ' ' ILE . 4.2 pp -83.42 -31.81 26.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.89 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.434 ' OD2' ' CG1' ' A' ' 58' ' ' ILE . 18.1 t70 -87.78 13.46 10.59 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.33 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.64 0.257 . . . . 0.0 111.347 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -110.98 26.52 10.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.336 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 26.9 mmmt -114.0 1.37 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m 66.12 23.75 10.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.65 -10.14 75.55 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.587 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -134.73 127.7 31.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.532 . . . . 0.0 111.176 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.538 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 4.8 mt -111.74 145.36 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.217 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -100.51 122.08 42.62 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.017 0.913 . . . . 0.0 111.822 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 4.9 pt-20 -38.05 -33.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.741 -1.572 . . . . 0.0 112.229 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.4 m-20 -69.78 -52.63 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.95 0.405 . . . . 0.0 110.907 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.98 -19.2 54.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.082 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HG ' ' CE ' ' A' ' 86' ' ' MET . 0.1 OUTLIER -47.41 -46.31 26.13 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.43 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -53.29 -29.96 38.89 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.805 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 t -80.04 -58.73 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.18 0.514 . . . . 0.0 110.001 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG23 HG21 ' A' ' 58' ' ' ILE . 6.5 tp -58.84 -17.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.086 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.544 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 2.4 mt -45.48 -27.54 0.75 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.972 0.415 . . . . 0.0 111.56 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -47.49 -21.91 0.39 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.446 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.22 -57.87 4.08 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.294 -0.955 . . . . 0.0 111.206 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.88 -42.11 7.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 109.308 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 74' ' ' ALA . 5.0 m -69.53 1.81 3.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.252 -1.34 . . . . 0.0 114.087 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.1 t -44.62 -25.04 0.23 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.502 0.592 . . . . 0.0 110.85 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.23 -25.59 12.39 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.225 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -86.94 -162.36 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.678 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -99.21 -158.77 0.7 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.591 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.44 -179.79 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -109.79 124.62 51.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 109.997 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 82' ' ' THR . 27.8 m -95.86 -171.72 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.76 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.72 -51.04 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' THR . 83.5 mttt -50.44 -52.99 32.91 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -73.8 -29.17 62.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.772 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 77.1 m -61.34 -50.04 74.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 6.9 mmpt? -76.27 -31.23 58.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.042 -1.435 . . . . 0.0 111.166 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.8 m -89.1 -57.92 2.72 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 81' ' ' GLU . 45.2 tp -73.24 -48.77 32.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.458 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 1.9 tpp -74.53 -51.29 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.016 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -53.66 -34.36 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.009 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.3 -52.4 16.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.46 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -57.46 -38.86 89.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.233 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.0 p30 -95.31 37.38 1.18 Allowed 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.4 tmtt? -29.93 -36.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.46 1.104 . . . . 0.0 113.698 -178.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASP . 20.0 t70 -55.41 -19.52 9.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.979 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.88 49.91 3.9 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 121.509 -0.377 . . . . 0.0 113.5 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.419 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 6.0 m-20 -113.29 -4.05 13.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.581 0.229 . . . . 0.0 111.293 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 96' ' ' LYS . . . 64.2 12.27 49.46 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.08 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -146.59 142.15 27.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 90' ' ' ASP . 26.4 mt -111.23 112.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.656 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.01 -166.35 37.09 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.413 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 14.7 p -61.36 -32.58 53.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.186 0.493 . . . . 0.0 110.66 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.413 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -74.27 -54.35 7.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.282 0.563 . . . . 0.0 110.97 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.21 -37.82 75.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.634 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 2.6 t80 -52.04 -25.07 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.496 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.8 p -78.0 -42.43 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.403 HG21 ' HB3' ' A' ' 91' ' ' LYS . 24.0 m -55.43 -42.27 73.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.476 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.527 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 1.7 tt -54.63 -39.2 67.73 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -55.89 -33.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.771 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.25 -34.69 55.78 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.968 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mm-40 -66.83 -64.49 0.84 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.447 0.642 . . . . 0.0 110.126 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.541 ' HA ' ' HG3' ' A' ' 27' ' ' LYS . 68.7 p . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.877 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.401 ' HG3' HG22 ' A' ' 46' ' ' VAL . 15.4 tmm? . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.598 0.237 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 p -69.92 -25.48 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.395 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.14 -30.55 27.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.024 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 42' ' ' ASP . 5.2 mp -97.8 -61.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mt -74.29 137.5 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.798 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.406 ' HB2' ' HB2' ' A' ' 10' ' ' ASP . 1.5 m -55.24 110.19 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.15 70.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.069 0.461 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 12.3 pt-20 -71.6 -46.83 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.714 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 63.0 m-20 -60.74 -52.85 63.34 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 111.357 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 33' ' ' VAL . 5.9 mt -56.59 -45.97 82.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.989 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -59.83 -51.81 68.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 18.8 mttm -72.0 -51.66 20.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . . . -54.62 -37.9 66.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.757 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.535 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 7.4 mt -70.49 -56.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.59 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.13 -49.21 5.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.503 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -40.32 -51.47 2.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.131 0.465 . . . . 0.0 112.009 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 14' ' ' ALA . 20.9 p90 -130.11 111.0 12.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.108 0.48 . . . . 0.0 111.448 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 20' ' ' ALA . 9.0 t -90.89 -46.15 8.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.656 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.71 -51.24 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.348 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 24' ' ' PHE . . . -44.67 -65.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.583 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.8 p-10 -69.81 -34.19 73.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.507 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.427 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.4 t -51.85 -40.44 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.354 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 1.3 p90 -95.5 -24.87 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.444 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -166.91 98.78 0.54 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.278 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -68.96 -17.74 63.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 23.5 mmmt -47.68 -50.22 25.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -60.55 -45.22 94.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.535 ' CZ ' ' CG1' ' A' ' 15' ' ' ILE . 46.8 t80 -57.09 -36.43 70.59 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.554 178.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -53.0 -30.8 37.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.831 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.44 ' HA ' ' CE ' ' A' ' 36' ' ' LYS . 36.5 mt-30 -84.35 -41.7 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.478 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 29' ' ' PHE . 10.3 mmm -72.07 -36.43 69.55 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.411 0.624 . . . . 0.0 111.028 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 11.2 p -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.47 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.95 28.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.416 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.494 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -76.09 -30.08 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.267 179.413 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' CE ' ' HA ' ' A' ' 31' ' ' GLN . 3.5 mtmp? -82.09 -17.15 47.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.426 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -42.06 -29.21 0.22 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' CD ' ' OD2' ' A' ' 42' ' ' ASP . 53.7 mttm -132.57 -168.89 2.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.2 t -78.12 167.64 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.49 -21.3 36.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.38 -32.8 73.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 5' ' ' LEU . 5.1 m-20 -73.08 -52.27 14.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 46' ' ' VAL . 17.0 m -52.74 -35.79 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.32 0.581 . . . . 0.0 110.053 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 44.1 mtpt -50.01 -27.31 5.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -56.78 -48.43 77.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.024 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 43' ' ' VAL . 6.7 p -59.11 -26.99 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.08 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.443 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.0 t80 -46.96 -43.18 18.97 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.365 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 60.5 m-70 -75.46 -35.89 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.708 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.442 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 44.1 mm -58.91 -50.41 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.386 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 4.0 pp -80.46 -41.46 24.37 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -114.13 97.54 6.42 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 21.0 ptmt -69.39 -48.72 60.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.159 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 6.4 m-20 -67.75 -20.6 65.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.692 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 87.7 tttt 82.19 -35.84 0.1 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.161 0.584 . . . . 0.0 109.571 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 53' ' ' ASP . 47.5 t 63.46 -53.62 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.032 0.933 . . . . 0.0 113.232 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.07 -15.95 54.48 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -178.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.9 m-85 -165.83 126.61 1.82 Allowed 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.429 ' CG2' HD23 ' A' ' 63' ' ' LEU . 8.6 mt -103.83 142.12 18.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.333 0.587 . . . . 0.0 110.104 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -101.89 116.8 33.49 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.767 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' CB ' ' HG3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -39.26 -32.41 0.11 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.892 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.05 -52.32 36.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.045 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.5 -16.67 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.678 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD23 ' CG2' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.6 -37.63 65.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.957 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.479 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -61.85 -21.89 61.55 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.879 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -81.25 -62.53 1.63 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 10.3 tp -62.94 -19.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.518 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.528 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -46.29 -34.6 4.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 72' ' ' SER . 78.5 mttt -49.8 -23.01 1.62 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.775 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.79 -53.12 5.4 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.878 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CE2' ' CD1' ' A' ' 67' ' ' LEU . 2.4 p90 -98.02 -45.37 6.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.229 0.537 . . . . 0.0 110.408 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -73.01 0.88 10.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 4.5 t -46.78 -23.43 0.43 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.052 -0.405 . . . . 0.0 111.847 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.421 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.7 m-20 -94.15 -12.02 29.22 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . . . -113.49 -93.36 0.47 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 13.3 ptt180 -155.31 -156.5 0.66 Allowed 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.476 -0.14 . . . . 0.0 110.777 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.0 m-20 -124.0 144.75 49.64 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.479 HD21 ' N ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER -47.09 121.29 3.62 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 178.177 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -101.08 -177.9 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.638 0.256 . . . . 0.0 110.925 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.89 25.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.189 0.519 . . . . 0.0 110.624 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.8 ttmt -52.96 -51.67 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.595 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . 32.2 mt-10 -66.16 -25.29 66.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.461 ' HA ' HD11 ' A' ' 77' ' ' LEU . 8.4 m -63.29 -51.31 66.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -77.02 -30.24 55.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.874 177.41 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 80' ' ' LYS . 49.5 m -88.57 -57.84 2.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -81.35 -52.36 7.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.438 ' CE ' HD12 ' A' ' 85' ' ' LEU . 6.0 mmt -63.19 -51.11 67.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.304 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -56.95 -24.82 55.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.637 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.415 ' CA ' ' OE1' ' A' ' 108' ' ' GLU . . . -76.07 -65.52 0.9 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.917 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.429 ' CA ' HD22 ' A' ' 105' ' ' LEU . . . -46.96 -36.15 8.55 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.536 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.9 p30 -95.72 37.79 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.116 -0.542 . . . . 0.0 109.932 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -29.16 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.393 1.077 . . . . 0.0 113.801 -178.251 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.5 m-20 -54.38 -20.18 6.89 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.721 0.296 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.56 50.1 3.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.75 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -110.74 -8.25 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.585 0.231 . . . . 0.0 111.083 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' A' ' 96' ' ' LYS . . . 67.99 19.52 71.86 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.581 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 13.0 mmtp -148.11 141.42 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.443 HG22 HD12 ' A' ' 97' ' ' ILE . 30.4 mt -116.81 113.21 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.072 0.463 . . . . 0.0 111.583 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.38 -170.42 18.23 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.614 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.427 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 14.2 p -56.21 -27.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.427 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.62 -54.32 8.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.377 0.608 . . . . 0.0 110.616 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -61.17 -27.26 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.04 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.466 ' HA ' ' CG ' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -51.72 -24.81 6.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.6 p -77.33 -42.06 38.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.413 HG21 ' HB3' ' A' ' 91' ' ' LYS . 21.0 m -62.51 -43.03 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.464 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -52.19 -27.02 13.06 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.418 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.63 -36.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.978 0.418 . . . . 0.0 110.141 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.26 -26.22 39.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.437 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.42 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 9.3 mm-40 -63.21 -67.91 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.884 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.444 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 64.2 p . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.363 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.462 ' CG ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.638 0.256 . . . . 0.0 111.267 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 m -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -107.02 -64.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 111.598 -179.084 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.46 HD23 ' CG1' ' A' ' 43' ' ' VAL . 31.6 mt -77.9 146.79 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.377 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.6 m -59.59 115.03 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.504 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.56 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.438 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.79 -45.47 64.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.4 m-20 -50.45 -52.1 41.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CG2' HD11 ' A' ' 15' ' ' ILE . 13.8 mt -60.81 -53.99 41.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.483 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -61.66 -44.28 97.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 110.211 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 18.2 mtpp -65.11 -50.71 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.552 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 10' ' ' ASP . . . -65.68 -48.82 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.926 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.525 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 7.6 mt -54.0 -45.21 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.953 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.15 -4.71 59.77 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.539 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -64.84 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.142 0.471 . . . . 0.0 111.747 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 21' ' ' ALA . 2.1 p90 -142.65 150.26 39.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 111.262 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -84.72 -26.54 27.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.605 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HB1' ' CE2' ' A' ' 18' ' ' PHE . . . -46.78 -26.7 1.01 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.723 0.297 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . . . -53.34 -57.95 8.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 110.227 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 16.4 m-20 -88.02 -17.11 31.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.406 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.447 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 40.5 t -89.24 -56.3 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 69.6 t80 -95.01 -65.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.411 ' OD2' ' CG2' ' A' ' 84' ' ' THR . 60.3 t0 -161.38 127.49 3.8 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 52.6 m-70 -71.77 -12.38 61.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.527 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HE2' ' N ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -47.64 -54.49 11.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 110.343 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.08 -47.57 85.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 28.0 t80 -51.69 -32.45 29.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.037 178.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.96 -29.47 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.674 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.513 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.0 mt-30 -84.08 -42.69 15.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.698 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.412 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 9.0 mtp -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.221 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.452 HG13 ' HA ' ' A' ' 30' ' ' PHE . 12.4 p -66.28 -24.72 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.91 19.84 35.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.822 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 1.5 mt -70.0 -32.44 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.2 mtpp -82.11 -15.26 54.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.403 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -46.5 -37.34 7.73 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -123.89 -175.23 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.236 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 m -70.74 172.24 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.753 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.74 -17.33 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 2.5 m-20 -74.67 -35.47 62.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.69 -51.85 44.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.056 0.455 . . . . 0.0 109.78 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.46 ' CG1' HD23 ' A' ' 6' ' ' LEU . 29.9 m -60.16 -36.85 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 109.75 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 26.9 mtpt -50.81 -26.92 6.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.437 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HG2' HD21 ' A' ' 5' ' ' LEU . 5.6 mptp? -56.96 -48.62 77.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.732 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.462 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 3.9 p -56.81 -27.36 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.475 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 15.3 t80 -46.4 -48.7 18.65 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.935 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.412 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 36.8 mm -60.95 -49.43 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.491 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' CD1' ' CD1' ' A' ' 58' ' ' ILE . 4.2 pp -84.71 -30.99 24.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.775 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.2 t70 -93.47 44.68 1.14 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 111.386 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 20.4 ptmt -70.41 -51.05 32.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.057 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.6 t70 -115.91 2.81 13.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.41 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 70.8 mmtt -68.69 -12.17 61.09 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t 76.39 43.45 0.15 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . 79.62 -3.08 70.09 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.658 -0.782 . . . . 0.0 114.285 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.421 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 89.3 m-85 -151.66 143.47 23.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.285 0.543 . . . . 0.0 110.826 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -103.87 139.96 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.129 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -102.36 119.79 39.41 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.105 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 2.1 pt-20 -37.71 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.42 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 23.1 t70 -69.58 -52.86 22.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.4 . . . . 0.0 110.93 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 65' ' ' SER . 8.5 tp10 -84.03 -16.27 44.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.056 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.499 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.2 OUTLIER -50.45 -45.47 56.06 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.642 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.46 55.99 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.037 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 35.3 t -84.55 -59.47 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.732 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.441 HG23 ' CG2' ' A' ' 58' ' ' ILE . 10.4 tp -59.71 -16.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.659 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -45.36 -28.37 0.84 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.249 0.547 . . . . 0.0 110.8 178.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.48 -19.9 0.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.252 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.21 -53.76 7.59 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.492 ' CE2' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -97.52 -43.68 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.054 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 15' ' ' ILE . 19.5 m -68.26 3.36 1.72 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 113.805 -1.543 . . . . 0.0 113.977 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.5 t -44.97 -25.16 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.619 -0.675 . . . . 0.0 111.024 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.04 35.39 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 109.996 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.442 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -141.54 -156.94 0.72 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.078 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -102.95 -88.05 0.41 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.506 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 2.7 p30 175.65 167.24 0.37 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.064 0.459 . . . . 0.0 112.135 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -89.5 95.26 10.19 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.963 0.887 . . . . 0.0 109.938 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 42.0 t -68.88 -171.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.61 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -50.13 27.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' THR . 25.8 mtpp -49.81 -54.36 19.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.2 mp0 -69.36 -27.67 65.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.455 ' HA ' ' HG2' ' A' ' 86' ' ' MET . 70.2 m -60.18 -52.41 65.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 14.5 mmmm -78.02 -31.02 50.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.245 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 62.5 m -88.17 -57.42 2.93 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -74.75 -50.47 17.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -176.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.499 ' CE ' ' CD2' ' A' ' 63' ' ' LEU . 1.6 mmm -74.27 -51.44 15.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.938 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -58.34 -31.97 68.08 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.38 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -78.66 -46.09 19.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.527 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -59.08 -35.07 82.33 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.288 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.4 p30 -94.49 38.64 1.1 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.905 -0.647 . . . . 0.0 109.375 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -28.32 -35.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.539 1.136 . . . . 0.0 113.835 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ASP . 6.5 m-20 -55.31 -19.81 9.69 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.729 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.93 51.1 3.69 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.199 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -113.43 -10.0 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.35 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.79 -4.28 45.68 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.551 -0.833 . . . . 0.0 114.003 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 58.0 mttt -132.76 142.96 49.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.616 0.246 . . . . 0.0 110.804 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.42 HD13 ' CE ' ' A' ' 86' ' ' MET . 20.4 mt -104.27 112.51 38.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.07 0.462 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.56 175.87 22.84 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.461 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 13.7 p -47.18 -37.05 4.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.43 -51.68 19.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.829 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 0.4 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.676 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -52.31 -31.22 32.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.002 0.43 . . . . 0.0 110.13 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -79.19 -33.08 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.64 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.406 HG21 ' HB3' ' A' ' 91' ' ' LYS . 31.1 m -58.94 -45.63 89.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.434 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.527 ' HB2' ' CA ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -60.47 -23.95 64.87 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.815 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.65 -36.43 76.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.142 0.496 . . . . 0.0 109.967 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.96 -27.96 35.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.832 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.83 -67.08 0.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.323 0.582 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.46 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.359 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.435 ' CE ' HG23 ' A' ' 49' ' ' ILE . 24.7 mtm . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.462 0.172 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.1 p -83.74 -46.3 12.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.41 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . 15.3 m-20 -88.79 -33.91 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.436 HD13 ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -74.7 -57.66 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.408 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HB ' ' A' ' 46' ' ' VAL . 33.4 mt -102.03 158.84 15.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.396 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -83.03 110.19 17.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.81 95.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.364 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.75 -32.09 73.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB2' ' CB ' ' A' ' 7' ' ' SER . 1.9 m-20 -73.93 -50.36 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.875 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 33' ' ' VAL . 56.2 mt -56.18 -38.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.775 0.321 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.34 -51.41 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' ALA . 42.5 mtpt -66.25 -49.54 66.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.342 0.591 . . . . 0.0 110.754 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.79 91.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.314 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.538 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 14.7 mt -68.85 -35.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.673 0.273 . . . . 0.0 111.734 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.78 -17.21 49.3 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.398 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -75.97 -27.15 57.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CG ' ' CB ' ' A' ' 22' ' ' ASP . 21.0 m-30 -104.97 75.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -92.38 -39.03 11.68 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.84 -61.74 1.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CE2' ' A' ' 24' ' ' PHE . . . -95.93 -68.02 0.82 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.515 ' CB ' ' CG ' ' A' ' 18' ' ' PHE . 8.4 m-20 -55.57 -20.79 14.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 75' ' ' ARG . 32.1 t -42.61 -33.42 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.403 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 21' ' ' ALA . 26.4 p90 -94.67 -42.93 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.469 ' OD2' ' CE1' ' A' ' 24' ' ' PHE . 69.2 m-20 -66.22 82.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.267 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 96.4 m-70 -70.47 -23.48 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.73 -61.05 2.14 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.317 -0.239 . . . . 0.0 111.059 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' CE ' ' HA ' ' A' ' 28' ' ' LYS . 1.7 tpmt? -59.07 -44.74 91.9 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.538 ' CZ ' ' CG1' ' A' ' 15' ' ' ILE . 46.2 t80 -53.72 -36.63 62.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.779 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.62 -31.11 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.396 0.617 . . . . 0.0 109.907 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 19.0 mt-30 -84.16 -43.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mmm -72.25 -34.81 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.088 0.471 . . . . 0.0 111.644 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.493 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 10.5 p -66.64 -24.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.097 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.7 10.82 55.01 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.147 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.492 HD11 ' CE2' ' A' ' 30' ' ' PHE . 2.7 mt -61.83 -34.16 75.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mtpp -86.82 9.77 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.617 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -49.21 -69.98 0.1 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.51 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 4' ' ' ASP . 56.8 mttt -101.36 -89.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -145.44 -177.75 5.72 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.858 0.361 . . . . 0.0 111.353 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' O ' HG21 ' A' ' 43' ' ' VAL . . . -54.43 -18.5 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.928 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.62 -46.5 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 111.214 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -52.81 58.48 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 31.5 m -55.45 -36.01 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -62.32 -33.12 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' CB ' HD13 ' A' ' 5' ' ' LEU . 13.3 mptt -68.5 -57.8 5.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 4.7 p -52.08 -27.41 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.194 0.521 . . . . 0.0 110.025 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 5.3 t80 -59.41 -51.81 68.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.894 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' LYS . 89.3 m-70 -64.86 -35.61 81.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.538 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.435 HG23 ' CE ' ' A' ' 2' ' ' MET . 50.6 mm -51.68 -49.82 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.474 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 51' ' ' ASP . 3.5 pp -83.13 -23.51 32.98 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.268 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.45 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 4.8 t0 -158.46 78.98 0.8 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.677 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -73.59 -37.64 65.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.805 179.579 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.8 t70 -94.51 24.24 4.7 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.405 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -57.85 -18.04 20.0 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.417 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m 70.68 24.85 4.22 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.749 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 100.38 -13.3 59.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.933 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.5 m-85 -161.7 139.15 8.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 117.464 0.632 . . . . 0.0 112.299 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.537 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 3.8 mt -104.56 146.79 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.776 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.38 122.67 42.82 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.975 0.893 . . . . 0.0 111.848 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 6.5 pt-20 -43.83 -30.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.586 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.48 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.3 m-20 -68.64 -51.38 42.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.683 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.31 -22.41 41.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -48.37 -48.36 36.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.29 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -57.31 -23.37 47.72 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.078 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.525 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 38.4 t -83.18 -62.76 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 tp -56.1 -17.5 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.489 HD12 ' CE2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -45.98 -48.03 16.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.57 -15.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.07 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.81 -50.73 25.63 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.66 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.489 ' CE2' HD12 ' A' ' 67' ' ' LEU . 3.8 p90 -97.9 -44.84 6.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 109.139 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' ALA . 88.8 p -72.07 2.3 5.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.331 -1.304 . . . . 0.0 113.241 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.3 p -45.77 -25.91 0.57 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.971 -0.455 . . . . 0.0 111.178 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.427 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 2.6 m-20 -92.18 -28.11 17.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 110.041 178.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -86.91 -150.89 0.16 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.144 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' CG ' ' OG ' ' A' ' 23' ' ' SER . 79.0 mtp180 -101.37 -85.98 0.42 Allowed 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -178.14 -171.35 0.27 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.311 0.577 . . . . 0.0 111.856 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.475 ' HB3' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -119.26 72.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.715 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.0 m -62.35 -174.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.6 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -47.28 27.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.688 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' THR . 65.3 mttm -49.65 -53.68 22.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LEU . 6.4 mm-40 -75.22 -27.23 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.444 ' HA ' ' HG2' ' A' ' 86' ' ' MET . 89.6 m -61.53 -50.26 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.443 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 4.9 mmpt? -77.3 -30.65 54.29 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.26 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 97.8 m -87.5 -56.77 3.21 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' GLU . 10.1 tp -79.93 -52.98 7.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.444 ' HG2' ' HA ' ' A' ' 82' ' ' THR . 30.3 mmm -63.53 -51.16 66.67 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.219 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.95 -25.27 11.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 0.0 110.328 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.37 -63.19 1.43 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.455 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -50.64 -32.86 25.37 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.986 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.3 p30 -95.32 38.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.08 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -28.63 -35.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.191 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -55.07 -19.82 8.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.702 0.287 . . . . 0.0 110.961 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.63 39.41 7.68 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.478 -0.391 . . . . 0.0 113.732 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.88 -8.16 22.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.612 0.244 . . . . 0.0 111.122 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 65.83 25.42 71.84 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.874 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -155.01 142.77 19.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.424 HD13 ' CE ' ' A' ' 86' ' ' MET . 30.4 mt -117.21 136.37 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 111.525 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 102' ' ' PHE . . . -120.9 -155.74 9.63 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.8 p -68.54 -33.02 57.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 117.473 0.637 . . . . 0.0 110.965 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -55.26 6.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.044 0.45 . . . . 0.0 111.521 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -33.6 74.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.526 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t80 -52.72 -26.46 14.09 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.041 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.7 t -78.22 -41.66 33.71 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 61.8 m -56.98 -37.9 72.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.898 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.525 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -61.42 -36.61 80.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.161 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 68.1 t -58.02 -33.28 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.053 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.5 -28.45 37.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.072 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.69 -67.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.767 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.7 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.437 ' HB2' ' CG2' ' A' ' 46' ' ' VAL . 11.1 tpt . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.946 0.403 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -83.03 -16.38 47.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.679 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.36 -36.1 13.35 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.12 0.486 . . . . 0.0 110.8 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.439 ' CD1' ' HD2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -81.77 -56.37 4.03 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.44 -178.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 2' ' ' MET . 72.4 mt -74.09 152.4 39.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p -50.02 110.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.38 84.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.04 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 10.4 pt-20 -68.18 -46.39 70.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.901 0.381 . . . . 0.0 110.586 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.9 m-20 -50.72 -53.77 28.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 0.0 111.637 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.443 HG12 ' CG2' ' A' ' 33' ' ' VAL . 32.5 mt -62.77 -54.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.287 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.34 -47.05 87.7 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.228 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 21.9 mtpp -63.53 -52.55 60.7 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.676 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 10' ' ' ASP . . . -62.16 -44.28 96.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.492 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.451 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 7.7 mm -54.01 -51.17 48.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.037 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.02 -4.46 58.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.531 -0.842 . . . . 0.0 114.502 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -66.15 -52.53 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.526 0.663 . . . . 0.0 112.347 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -144.0 113.44 7.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.072 0.939 . . . . 0.0 113.031 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 75' ' ' ARG . 88.2 m -73.21 -47.08 46.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.475 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.66 -34.93 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HB1' ' CE2' ' A' ' 18' ' ' PHE . . . -64.96 -65.62 0.65 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.02 0.438 . . . . 0.0 110.41 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 3.8 m-20 -58.78 -28.6 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -73.25 -37.7 66.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.864 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -95.1 -65.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.327 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 45.7 t0 -142.2 121.67 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.367 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.411 ' HB2' HD21 ' A' ' 85' ' ' LEU . 57.4 m80 -70.26 -8.58 51.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.115 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -45.7 -60.82 2.0 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.507 0.67 . . . . 0.0 110.556 179.014 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -60.16 -48.74 80.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.805 -1.088 . . . . 0.0 110.188 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CE2' ' CE1' ' A' ' 70' ' ' PHE . 80.7 t80 -53.73 -38.74 64.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.085 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE1' HD11 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -52.92 -31.78 41.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 0.0 110.286 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.491 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 17.1 mt-30 -84.09 -42.69 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.426 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 11.7 mmm -72.3 -35.19 68.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 111.193 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' HA ' ' A' ' 30' ' ' PHE . 7.3 p -65.64 -23.4 32.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.613 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.18 55.0 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.171 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.484 HD11 ' CE1' ' A' ' 30' ' ' PHE . 2.6 mt -64.59 -34.6 78.64 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.8 mtpp -78.83 -21.95 46.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.028 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.44 -56.13 12.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.304 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 9.8 mmpt? -91.42 166.63 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.619 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -68.65 158.29 34.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.682 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.12 -25.64 13.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.66 -41.68 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' CE ' ' A' ' 2' ' ' MET . 2.6 m-20 -66.45 -53.45 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 46' ' ' VAL . 35.7 m -54.99 -39.48 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -50.57 -31.68 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD2' ' CD1' ' A' ' 5' ' ' LEU . 89.5 mttt -59.8 -49.86 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.646 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 1.5 p -56.7 -27.35 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 23.8 t80 -53.58 -47.85 69.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.466 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . 28.0 t60 -71.99 -36.53 69.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 48.2 mm -51.57 -49.43 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.9 pp -89.18 -35.07 16.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.171 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.474 ' OD2' ' CE2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -101.81 68.73 1.16 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.538 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -75.22 -45.16 42.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.953 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 21.9 t70 -114.9 22.31 13.56 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -49.7 -27.86 5.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.118 0.485 . . . . 0.0 110.432 179.457 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 15.8 m 77.42 38.93 0.2 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.036 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 93.24 -14.78 64.47 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.32 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 95.6 m-85 -164.36 145.13 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.191 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.514 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 2.3 mt -103.31 143.19 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.58 118.7 37.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.605 0.717 . . . . 0.0 111.714 -177.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -39.44 -30.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.356 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.0 -51.57 66.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.96 0.409 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.82 -16.14 27.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.041 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -52.46 -40.26 62.07 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.478 0.656 . . . . 0.0 109.498 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -60.16 -16.73 42.66 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.347 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -87.67 -55.81 3.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.624 . . . . 0.0 109.734 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' A' ' 50' ' ' LEU . 3.7 tp -65.88 -16.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.584 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 1.2 mm? -59.82 -21.97 61.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.006 0.431 . . . . 0.0 110.909 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' SER . 45.7 mtpt -51.5 -19.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.848 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.27 -49.98 10.07 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.62 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 71' ' ' SER . 1.2 p90 -95.67 -45.21 7.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 109.576 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.593 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.3 p -70.21 2.96 3.16 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.222 -1.354 . . . . 0.0 114.29 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' LYS . 47.6 t -45.0 -24.41 0.22 Allowed 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.843 -0.536 . . . . 0.0 111.374 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.433 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 19.4 t70 -125.92 22.26 7.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.921 178.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB2' HG22 ' A' ' 15' ' ' ILE . . . -133.5 -136.42 0.17 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.641 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HD3' ' CG2' ' A' ' 19' ' ' THR . 18.6 mmm180 -108.94 165.4 11.61 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 121.114 0.483 . . . . 0.0 111.143 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' SER . 3.9 p30 -107.77 121.21 44.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.411 0.624 . . . . 0.0 112.203 -178.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -41.54 93.93 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.532 177.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' THR . 15.4 m -98.17 -164.25 1.12 Allowed 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.994 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.82 -51.84 21.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 84' ' ' THR . 67.5 mttm -52.54 -54.4 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 111.023 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.5 mp0 -72.36 -24.43 61.28 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.846 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.437 ' HA ' HD21 ' A' ' 77' ' ' LEU . 28.7 m -62.81 -50.36 71.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.401 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 24.9 mmtt -76.71 -33.05 58.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.151 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' LYS . 47.7 m -87.73 -57.56 2.9 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' GLU . 20.2 tp -80.58 -52.77 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.434 ' CG ' ' HA ' ' A' ' 82' ' ' THR . 2.9 mmt -63.02 -53.2 57.65 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.635 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -56.99 -23.83 48.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.558 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.451 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . . . -87.49 -58.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.45 ' CA ' HD22 ' A' ' 105' ' ' LEU . . . -47.22 -41.56 15.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.742 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 92' ' ' ASP . 4.1 p30 -92.77 39.69 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.46 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -31.05 -26.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' ASP . 4.5 p30 -55.17 -22.21 16.46 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.904 0.774 . . . . 0.0 109.388 177.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.14 47.71 3.77 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.825 -0.625 . . . . 0.0 114.089 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -113.59 -10.32 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.83 0.315 . . . . 0.0 111.244 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.13 -11.57 35.61 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.469 -0.872 . . . . 0.0 113.735 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 67.3 mttt -120.74 147.37 45.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.776 0.322 . . . . 0.0 111.048 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.478 HG21 HD12 ' A' ' 97' ' ' ILE . 17.1 mt -104.53 123.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.492 . . . . 0.0 110.695 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.8 161.38 12.73 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.428 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 13.1 p -47.68 -27.63 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.105 0.452 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.13 -53.81 10.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.73 -24.34 64.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.777 -179.217 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.492 ' HA ' ' CG ' ' A' ' 105' ' ' LEU . 5.2 t80 -51.89 -23.41 4.84 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.768 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.5 p -78.46 -40.44 35.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.46 HG21 ' CG ' ' A' ' 91' ' ' LYS . 3.0 m -63.22 -27.09 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.76 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.492 ' CG ' ' HA ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -61.38 -35.02 76.32 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.52 -32.08 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.241 0.544 . . . . 0.0 109.609 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.86 -24.77 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.228 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.85 -71.88 0.25 Allowed 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.718 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.437 ' CG ' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.9 m -111.81 -46.26 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.203 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.1 -26.18 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -90.45 -30.62 17.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.446 HD23 ' CG1' ' A' ' 43' ' ' VAL . 60.5 mt -131.16 148.52 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.456 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -58.56 110.82 1.06 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.987 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.81 -41.75 87.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.988 0.423 . . . . 0.0 110.69 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -55.96 -53.31 58.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.731 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.449 HG12 ' CG2' ' A' ' 33' ' ' VAL . 11.0 mt -59.61 -50.71 78.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -59.46 -46.9 87.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 35.7 mtpt -63.61 -50.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.64 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 18' ' ' PHE . . . -64.68 -54.29 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.884 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 73' ' ' ASP . 7.3 mt -54.87 -35.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.228 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.04 -59.89 1.04 Allowed Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.449 -0.881 . . . . 0.0 114.16 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -38.41 -53.0 1.55 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 14' ' ' ALA . 37.7 p90 -136.25 112.49 9.8 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.026 0.441 . . . . 0.0 111.949 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -90.31 -27.6 19.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.385 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.41 -48.4 18.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.285 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASP . . . -53.06 -65.36 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.647 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.88 -32.78 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.259 0.552 . . . . 0.0 109.559 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.417 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.3 t -62.92 -49.93 72.85 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.882 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -96.78 -65.88 0.94 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.756 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 52.1 t0 -134.03 100.92 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 111.472 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' CD1' ' A' ' 29' ' ' PHE . 26.1 t-80 -70.61 -9.82 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.253 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 109' ' ' SER . 0.4 OUTLIER -45.06 -59.82 2.41 Favored 'General case' 0 C--N 1.338 0.073 0 O-C-N 121.916 -0.49 . . . . 0.0 110.915 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.52 -40.96 93.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.521 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 4.6 t80 -57.62 -28.33 63.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.503 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.536 ' CE1' ' CD1' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -64.19 -30.17 71.25 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.281 0.562 . . . . 0.0 109.504 178.354 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 38.6 mt-30 -81.32 -40.67 23.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.332 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 38.3 mtp -72.73 -37.09 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.173 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.521 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 9.9 p -65.8 -24.8 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.152 0.501 . . . . 0.0 110.99 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.1 29.93 18.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.082 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.1 mt -72.29 -30.48 64.86 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.193 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -86.26 5.36 34.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.648 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -47.35 -42.37 21.38 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -128.05 -94.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.563 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -145.43 -179.33 6.58 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.842 0.353 . . . . 0.0 111.211 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HA ' HG21 ' A' ' 43' ' ' VAL . . . -60.59 -30.0 69.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.36 -51.44 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' HA ' ' CD2' ' A' ' 5' ' ' LEU . 8.0 m-20 -62.56 -52.81 61.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.538 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.446 ' CG1' HD23 ' A' ' 6' ' ' LEU . 22.4 m -59.95 -38.23 75.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.951 0.405 . . . . 0.0 110.994 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 70.5 mttt -51.41 -29.4 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.151 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.34 -46.3 83.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.538 0.209 . . . . 0.0 111.079 -178.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.419 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 7.3 p -54.28 -25.83 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.004 0.43 . . . . 0.0 110.071 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.9 t80 -46.67 -42.59 16.67 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.275 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -74.22 -35.97 63.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 46' ' ' VAL . 37.7 mm -59.88 -51.51 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.626 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 51' ' ' ASP . 4.1 pp -78.13 -41.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.302 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -114.53 79.97 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.135 0.493 . . . . 0.0 110.472 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 40.2 pttt -46.78 -47.71 20.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.79 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 t70 -68.52 -15.24 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.3 tmtp? 43.98 33.9 0.84 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.508 0.671 . . . . 0.0 109.811 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -36.63 -27.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.516 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 103.72 -12.05 53.5 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.495 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 93.7 m-85 -158.79 127.56 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 0.0 110.287 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.554 ' HB ' HD21 ' A' ' 63' ' ' LEU . 1.5 mt -103.77 144.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -103.1 127.01 50.52 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.717 0.77 . . . . 0.0 112.447 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 3.6 pt-20 -33.8 -35.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.21 -51.28 55.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.359 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.13 -24.81 23.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.181 0.515 . . . . 0.0 110.496 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.554 HD21 ' HB ' ' A' ' 58' ' ' ILE . 2.0 mt -47.44 -52.66 16.31 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.92 -16.36 51.98 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -92.05 -54.35 3.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.444 0.64 . . . . 0.0 109.713 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 9.7 tp -57.34 -23.69 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.54 HD11 ' CZ ' ' A' ' 70' ' ' PHE . 1.2 mm? -48.26 -26.24 1.89 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.251 0.548 . . . . 0.0 111.073 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 27.2 mttm -50.54 -20.98 1.32 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.03 -54.68 3.02 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.74 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.54 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -97.93 -44.43 6.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.191 0.52 . . . . 0.0 110.072 177.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 74' ' ' ALA . 10.4 p -69.55 -0.9 7.41 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.5 t -46.98 -25.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.972 0.351 . . . . 0.0 111.222 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.437 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 3.5 m-20 -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.728 0.299 . . . . 0.0 111.058 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -92.16 -89.01 0.19 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.272 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -159.0 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.258 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 p30 168.87 175.2 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.198 0.523 . . . . 0.0 111.557 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -105.92 89.71 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.233 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' THR . 47.9 t -61.75 -175.67 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.558 0.218 . . . . 0.0 110.638 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.4 28.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.466 0.651 . . . . 0.0 110.384 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -50.7 -53.99 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.316 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -75.96 -25.42 55.85 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.009 -178.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 87.1 m -64.33 -48.94 73.68 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 4.8 mmpt? -74.62 -29.42 61.27 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.64 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 67.5 m -87.14 -56.77 3.23 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 81' ' ' GLU . 3.0 tm? -81.21 -51.58 8.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.424 ' HG2' HD11 ' A' ' 63' ' ' LEU . 3.9 tpp -61.29 -50.73 71.8 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.99 -178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.16 -24.9 63.45 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.258 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.61 -61.23 1.99 Allowed 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.488 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -51.96 -26.96 20.19 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.342 -0.933 . . . . 0.0 110.906 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 93' ' ' GLY . 23.6 t70 -95.38 35.7 1.3 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 109.904 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.2 tmtt? -33.63 -54.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.183 -0.917 . . . . 0.0 112.954 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.71 36.93 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -136.08 -157.52 7.85 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.526 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.92 -1.04 13.93 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 136.29 -4.18 3.74 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 119.833 -1.175 . . . . 0.0 113.914 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 13.5 mmtp -102.2 140.05 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.414 ' O ' HG13 ' A' ' 58' ' ' ILE . 19.2 mt -111.32 111.84 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.199 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.13 165.32 15.94 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.1 p -47.56 -33.86 3.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.169 0.485 . . . . 0.0 110.559 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.98 -49.29 38.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -26.92 64.39 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.396 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -52.64 -25.8 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 0.0 110.007 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.5 t -72.9 -44.35 61.38 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.42 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.43 HG21 ' HB3' ' A' ' 91' ' ' LYS . 47.2 m -56.32 -35.01 67.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.536 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 2.0 tt -58.28 -39.9 80.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.216 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.3 t -54.77 -34.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.122 0.487 . . . . 0.0 109.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.62 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.298 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.12 -69.27 0.12 Allowed 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.849 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.441 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.182 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 2' ' ' MET . 3.4 tpt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.872 0.367 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.0 p -119.24 -42.43 2.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.18 -19.57 34.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.5 mm? -110.8 -54.23 2.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HG ' ' CG ' ' A' ' 2' ' ' MET . 48.2 mt -91.97 146.95 23.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 p -50.98 111.54 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.5 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.32 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 11.4 pt-20 -61.16 -43.55 98.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -60.17 -54.31 47.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.456 ' CG1' HG22 ' A' ' 33' ' ' VAL . 8.1 mt -56.9 -53.22 45.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.662 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -52.08 -43.66 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.964 0.412 . . . . 0.0 110.683 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 29.6 mttm -73.86 -50.77 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.579 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.46 -37.73 87.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.474 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 7.9 mt -73.37 -36.4 48.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.822 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.45 -57.21 1.21 Allowed Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.636 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -39.76 -49.65 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 25.9 p90 -136.11 120.45 17.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.654 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.434 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 94.3 m -91.59 -37.45 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 23' ' ' SER . . . -46.93 -41.91 16.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' CB ' ' CD1' ' A' ' 18' ' ' PHE . . . -49.26 -66.65 0.36 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.3 p-10 -69.47 -19.78 63.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.321 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 8.3 t -55.18 -65.17 0.63 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -96.86 -38.99 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.409 ' HA ' HD23 ' A' ' 85' ' ' LEU . 24.2 t70 -141.75 92.13 2.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.43 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.53 -8.1 38.41 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.954 178.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 24.4 mmmt -52.3 -54.67 28.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.874 0.369 . . . . 0.0 110.258 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' CG ' ' HE3' ' A' ' 32' ' ' MET . 0.0 OUTLIER -60.06 -46.97 87.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.397 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 26' ' ' HIS . 10.2 t80 -49.77 -46.0 50.21 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.805 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -49.96 -26.81 4.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.864 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 49.7 mt-30 -82.98 -49.41 9.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.159 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 2.5 mtt -72.14 -34.12 68.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.607 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.456 HG22 ' CG1' ' A' ' 11' ' ' ILE . 15.0 p -64.05 -25.21 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.96 26.6 21.55 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.733 -0.746 . . . . 0.0 114.21 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -71.95 -31.71 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.794 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -88.02 10.12 20.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.51 178.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 38' ' ' LYS . 47.5 tttp -46.33 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.341 0.203 0 CA-C-O 120.731 0.3 . . . . 0.0 111.204 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 19.8 mttt -81.03 -85.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.47 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -145.7 177.03 9.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -63.73 -35.66 81.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.423 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.418 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 10.3 m-20 -66.17 -51.07 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.513 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.485 HG21 ' N ' ' A' ' 44' ' ' LYS . 8.2 m -62.34 -35.53 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 110.315 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.485 ' N ' HG21 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -58.84 -29.93 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.34 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' CB ' ' HG ' ' A' ' 5' ' ' LEU . 4.4 mptp? -56.75 -38.91 73.08 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.447 HG12 ' CD2' ' A' ' 50' ' ' LEU . 5.7 p -57.57 -26.81 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' ASP . 24.1 t80 -49.44 -36.61 22.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.54 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' CD2' ' CE ' ' A' ' 54' ' ' LYS . 12.0 t-160 -75.68 -31.33 59.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.304 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.6 mm -70.54 -52.95 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.366 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.447 ' CD2' HG12 ' A' ' 46' ' ' VAL . 4.0 pp -82.16 -37.93 25.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -111.86 86.74 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.233 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.6 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.268 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.42 -20.62 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.65 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' CE ' ' CD2' ' A' ' 48' ' ' HIS . 55.4 mttt 41.88 42.36 2.21 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.527 0.68 . . . . 0.0 110.429 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -52.4 -18.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.764 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.56 -13.34 54.15 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.414 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 89.4 m-85 -161.59 127.9 3.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.957 0.408 . . . . 0.0 110.205 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.439 ' CG2' HD13 ' A' ' 63' ' ' LEU . 2.2 mt -103.16 144.35 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -98.7 122.41 41.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.145 0.974 . . . . 0.0 112.657 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 0.0 OUTLIER -38.41 -32.76 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.485 -1.689 . . . . 0.0 112.008 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 15.7 t70 -63.22 -51.2 67.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -88.0 -23.56 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 58' ' ' ILE . 4.0 tp -48.95 -50.43 35.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.989 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.23 -27.49 46.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -78.07 -58.22 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 0.0 110.058 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 50' ' ' LEU . 8.9 tp -59.4 -18.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.305 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.534 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -49.2 -25.9 2.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.068 0.461 . . . . 0.0 110.922 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' SER . 75.5 mttt -49.61 -20.54 0.8 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.596 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.61 -55.0 4.74 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.563 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CE2' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.655 0.74 . . . . 0.0 109.551 177.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.4 p -69.9 0.2 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.203 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.9 p -47.34 -26.76 1.37 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.919 -0.488 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.7 OUTLIER -116.98 25.42 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.458 178.655 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB1' ' CG2' ' A' ' 15' ' ' ILE . . . -119.87 -88.37 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.671 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 56.0 mtt180 -167.07 -88.31 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.146 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 4.6 p30 177.17 -175.86 0.14 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HB2' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -127.87 81.2 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.869 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -71.81 -172.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.448 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.55 -48.21 27.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -49.49 -53.71 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.632 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 85' ' ' LEU . 39.9 mt-10 -75.75 -28.83 58.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 96.9 m -58.35 -50.28 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -76.04 -31.0 58.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.121 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.406 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 62.7 m -87.69 -58.63 2.5 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 81' ' ' GLU . 1.6 mm? -83.16 -50.73 8.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.433 ' HE1' ' CD1' ' A' ' 77' ' ' LEU . 11.1 mmt -58.08 -50.8 72.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.37 -25.5 24.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.316 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 91' ' ' LYS . . . -76.12 -63.09 1.4 Allowed 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.441 ' O ' HD22 ' A' ' 105' ' ' LEU . . . -46.45 -37.99 8.92 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.8 p30 -91.74 38.29 0.98 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.818 -0.691 . . . . 0.0 109.791 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 88' ' ' ALA . 2.1 tmtt? -29.31 -35.6 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.512 1.125 . . . . 0.0 113.62 -178.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASP . 9.1 m-20 -55.92 -18.45 9.05 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.998 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.88 42.56 5.65 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.614 -0.327 . . . . 0.0 112.941 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -103.48 -4.55 23.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.6 0.238 . . . . 0.0 111.166 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 56.31 25.93 49.5 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.403 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 84.3 mttt -153.58 141.16 19.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 27.7 mt -107.21 112.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 111.881 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.98 170.06 13.99 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.429 ' CG2' ' HD3' ' A' ' 44' ' ' LYS . 10.7 p -47.6 -28.01 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 117.007 0.404 . . . . 0.0 111.033 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -54.93 6.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.348 0.594 . . . . 0.0 110.618 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -65.12 -26.81 68.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.848 -179.444 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.463 ' HA ' ' CG ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -52.58 -24.44 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.982 0.42 . . . . 0.0 110.32 179.708 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.8 m -78.11 -38.97 42.8 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -63.18 -43.79 97.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.094 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.79 -24.47 6.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.28 179.593 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.62 -36.96 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.017 0.437 . . . . 0.0 110.08 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.81 -30.19 40.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.161 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.428 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 10.2 mm-40 -55.82 -68.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.649 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.2 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.436 ' CE ' ' HA ' ' A' ' 2' ' ' MET . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.927 0.394 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -105.64 -15.43 14.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.524 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.49 -44.06 58.73 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.166 0.507 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -87.42 -53.71 4.67 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.264 -178.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.449 HD22 HD23 ' A' ' 35' ' ' LEU . 91.0 mt -74.34 153.37 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 6.1 p -55.31 110.77 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.24 87.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.435 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 12.7 pt-20 -63.9 -43.13 96.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.0 111.101 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -53.71 51.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.777 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.438 HD13 ' CB ' ' A' ' 6' ' ' LEU . 14.9 mt -56.44 -52.55 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.768 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -53.04 -44.68 67.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.698 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 54.0 mttt -73.72 -52.52 12.95 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.076 0.465 . . . . 0.0 111.472 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.92 -32.2 70.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.435 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.507 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 5.7 mt -73.84 -46.71 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.833 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.77 -50.68 1.92 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.282 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -36.88 -55.41 0.9 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -131.65 62.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.548 0.689 . . . . 0.0 112.132 -178.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -42.28 -28.42 0.2 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.25 -40.71 11.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' ' CZ ' ' A' ' 18' ' ' PHE . . . -54.55 -64.99 0.66 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.487 ' HA ' ' CG ' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -58.9 -24.01 61.81 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.81 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -67.55 -52.17 41.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.172 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.469 ' CD2' ' OD1' ' A' ' 25' ' ' ASP . 43.4 t80 -96.15 -64.23 1.07 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.469 ' OD1' ' CD2' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -138.7 112.76 8.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.632 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CG ' ' HA ' ' A' ' 22' ' ' ASP . 13.4 m-70 -67.68 -12.67 60.99 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HE3' ' CB ' ' A' ' 108' ' ' GLU . 12.8 mmmm -48.2 -55.59 10.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.914 0.388 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -59.86 -49.16 78.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.684 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 20.8 t80 -50.87 -34.68 29.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.648 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.24 -28.24 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.751 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 47.4 mt-30 -83.24 -47.74 11.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.039 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 2.2 mtt -72.31 -32.08 66.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 111.234 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' A' ' 30' ' ' PHE . 13.2 p -64.56 -24.07 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 85.04 26.74 36.14 Favored Glycine 0 N--CA 1.452 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.988 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.449 HD23 HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -73.03 -29.98 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 109.927 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -87.64 -10.62 50.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.085 178.338 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -41.33 -70.1 0.12 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.623 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -80.1 -98.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.409 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.8 p -146.73 161.2 41.1 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -51.75 -34.82 41.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 0.0 110.468 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.52 -45.59 77.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' HB3' HD23 ' A' ' 5' ' ' LEU . 11.2 m-20 -54.01 -48.38 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.283 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 3.4 m -71.15 -36.48 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.526 0.679 . . . . 0.0 109.726 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' N ' HG21 ' A' ' 43' ' ' VAL . 44.0 tttt -51.54 -32.75 29.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.521 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HG3' ' CD1' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.87 -47.18 87.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.147 -178.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.456 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 8.7 p -55.68 -25.5 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.12 0.486 . . . . 0.0 110.008 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.49 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 35.3 t80 -45.61 -44.16 12.85 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.25 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -75.06 -36.18 61.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 39.4 mm -52.88 -50.02 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.512 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 51' ' ' ASP . 4.1 pp -87.23 -37.04 17.61 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.491 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -119.67 65.95 0.81 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.965 0.412 . . . . 0.0 111.397 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -72.49 -55.27 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.87 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.492 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.6 m-20 -117.62 10.84 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 55' ' ' SER . 28.4 tptp -45.46 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.637 0.256 . . . . 0.0 111.416 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 31.4 p 173.03 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.172 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.85 -12.96 46.01 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.17 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.85 161.72 39.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.205 0.526 . . . . 0.0 110.189 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.466 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -105.54 142.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.022 179.156 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -100.42 118.08 35.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.776 0.798 . . . . 0.0 111.357 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 5.3 pt-20 -36.79 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.666 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 10.6 m-20 -70.05 -52.35 24.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.131 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -85.65 -18.06 34.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.558 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -50.86 -31.36 17.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.49 179.685 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.93 -26.86 73.2 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.598 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -81.06 -58.88 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 tp -59.65 -24.42 28.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.881 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.53 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -47.43 -32.31 4.94 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.333 0.587 . . . . 0.0 110.86 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 72' ' ' SER . 3.8 mtpm? -50.03 -21.34 1.2 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.614 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.99 -53.81 4.57 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.581 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.53 ' CE2' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.81 -45.32 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.234 0.54 . . . . 0.0 110.137 177.849 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ALA . 6.1 p -73.13 1.17 9.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.536 -177.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.91 -25.08 0.48 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.02 -0.425 . . . . 0.0 111.197 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.86 35.28 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -148.84 -90.1 0.08 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.693 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 74' ' ' ALA . 45.6 mtp180 -159.19 -168.19 2.27 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.613 0.244 . . . . 0.0 110.808 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -123.31 140.11 53.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.223 0.535 . . . . 0.0 111.948 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -63.07 100.56 0.22 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.556 179.231 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -82.14 -176.55 6.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.7 -50.07 26.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.219 0.533 . . . . 0.0 110.799 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -50.02 -47.05 53.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.71 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.4 mm-40 -73.08 -35.09 66.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.362 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 2.1 m -53.76 -50.34 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -76.07 -28.6 57.67 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.272 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 76.8 m -88.01 -58.31 2.61 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.452 ' HA ' HD11 ' A' ' 85' ' ' LEU . 2.7 mm? -83.35 -51.16 7.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.47 ' CE ' ' N ' ' A' ' 86' ' ' MET . 10.2 mmt -61.64 -46.96 87.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.996 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.62 -25.85 54.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.143 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' LYS . . . -81.48 -63.37 1.41 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.549 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.453 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -49.92 -33.47 20.86 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' ASP . 18.1 t0 -96.29 37.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.605 -0.797 . . . . 0.0 109.322 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -30.62 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.281 1.032 . . . . 0.0 113.462 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.0 m-20 -55.83 -18.45 8.67 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.589 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.37 3.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.462 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.406 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 11.8 m-20 -113.81 -8.65 13.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 76.56 0.36 67.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.203 -0.999 . . . . 0.0 113.272 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 42.4 mttt -143.67 144.82 32.04 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.409 HG21 HD12 ' A' ' 97' ' ' ILE . 44.3 mt -103.45 111.42 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.227 0.537 . . . . 0.0 111.614 -179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.63 168.38 33.13 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.428 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.49 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 8.1 p -48.41 -36.84 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.793 0.33 . . . . 0.0 111.239 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -73.36 -53.95 9.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.31 0.576 . . . . 0.0 110.676 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -33.46 66.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.745 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -52.34 -29.86 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.287 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 40' ' ' ALA . 95.5 p -74.92 -39.13 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.992 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 91.0 m -54.71 -37.44 65.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.979 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.526 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 1.5 tt -55.34 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.97 -35.37 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.896 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.32 -30.97 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.039 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.437 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 5.4 mm-40 -61.51 -66.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.309 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.437 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 11.4 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.971 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.502 ' CG ' ' HB ' ' A' ' 46' ' ' VAL . 15.9 mmt . . . . . 0 C--O 1.232 0.141 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -74.88 -28.36 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 0.0 111.573 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.38 -20.62 27.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.411 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' N ' HD13 ' A' ' 5' ' ' LEU . 4.7 mp -107.61 -69.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 24.2 mt -75.44 154.44 37.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.328 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.425 ' CB ' ' OD2' ' A' ' 10' ' ' ASP . 4.2 p -53.32 110.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.68 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 1.6 pm0 -70.27 -37.24 74.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.63 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD2' ' CB ' ' A' ' 7' ' ' SER . 62.5 m-20 -69.06 -52.98 22.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.166 0.507 . . . . 0.0 111.62 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 33' ' ' VAL . 34.6 mt -55.56 -48.62 77.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.523 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -56.97 -50.61 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.73 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' CE ' ' HB2' ' A' ' 9' ' ' GLU . 36.9 mttm -67.56 -50.67 57.39 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.69 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . . . -61.97 -36.94 82.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.755 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.546 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 9.4 mt -70.0 -37.48 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.697 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.54 -7.47 59.09 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.524 -0.845 . . . . 0.0 113.014 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.74 -13.95 23.75 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 12.3 m-30 -106.56 100.05 9.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 23' ' ' SER . 84.1 m -91.96 -49.32 6.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.764 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -100.6 -56.51 2.32 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -40.77 -66.08 0.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 111.857 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.35 -19.12 65.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.426 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -60.86 -46.86 88.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.041 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 17.2 p90 -95.99 -20.57 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -152.57 98.81 2.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -71.67 -20.2 61.98 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 178.43 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HE3' ' CB ' ' A' ' 108' ' ' GLU . 13.3 mmmm -45.2 -50.28 11.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.92 0.39 . . . . 0.0 110.518 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -60.91 -46.61 89.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 3.6 t80 -57.4 -28.06 62.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.852 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CD2' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -61.99 -31.1 71.43 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.36 0.6 . . . . 0.0 109.877 178.372 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 41.6 mt-30 -85.1 -41.17 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.119 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.8 -34.4 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.355 0.598 . . . . 0.0 110.756 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 9.8 p -66.39 -21.01 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.133 -0.939 . . . . 0.0 112.007 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 22.82 62.83 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.435 HD12 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -66.16 -32.55 74.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.6 mtpp -80.91 -12.97 59.31 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.457 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -42.94 -33.38 0.78 Allowed 'General case' 0 C--N 1.341 0.231 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -139.87 -178.85 5.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.05 165.88 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.58 -17.9 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.36 -47.86 82.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HA ' HD21 ' A' ' 5' ' ' LEU . 9.4 m-20 -61.03 -52.53 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 30.1 m -59.29 -38.27 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.11 0.481 . . . . 0.0 110.699 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -51.66 -28.96 16.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.237 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 14.0 mptt -60.1 -47.77 84.5 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.502 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 0.5 OUTLIER -54.02 -32.22 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE1' ' CD1' ' A' ' 102' ' ' PHE . 1.9 t80 -58.56 -40.99 84.62 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.541 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.442 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 38.5 t60 -75.44 -38.53 59.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.505 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 41.7 mm -50.76 -49.61 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.618 0.723 . . . . 0.0 109.523 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 66' ' ' ILE . 4.3 pp -82.88 -42.61 17.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.479 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.442 ' O ' ' HA ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -119.49 96.73 5.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.646 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 17.5 ptpt -57.9 -50.41 73.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.656 0.265 . . . . 0.0 111.422 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 13.0 t70 -100.54 -22.43 14.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.977 0.417 . . . . 0.0 110.629 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' PHE . 24.9 mttt 56.46 9.85 0.6 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.9 p 38.57 28.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.558 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.4 11.8 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-N 115.67 -0.695 . . . . 0.0 113.095 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.521 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -168.31 165.56 12.86 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.524 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 10.4 mt -106.51 143.76 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 121.14 40.84 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.906 0.86 . . . . 0.0 111.405 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -36.54 -33.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.954 -1.476 . . . . 0.0 112.35 -179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.46 -51.99 44.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.967 0.413 . . . . 0.0 110.623 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.22 -21.5 36.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.074 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.432 HD12 ' CG2' ' A' ' 58' ' ' ILE . 3.1 tp -48.35 -50.59 29.93 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.48 -21.09 53.58 Favored Glycine 0 C--N 1.318 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.521 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.8 t -86.88 -57.69 2.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.219 0.533 . . . . 0.0 109.786 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 6.8 tp -60.5 -15.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.728 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.494 HD11 ' CE2' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -48.8 -28.82 3.95 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.149 0.499 . . . . 0.0 110.642 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.2 mttp -50.08 -21.79 1.4 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.349 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.31 -54.89 3.79 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.171 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.494 ' CE2' HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -97.9 -42.16 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.7 p -72.98 4.18 4.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.686 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 41.6 t -43.5 -25.23 0.14 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.317 0.508 . . . . 0.0 111.844 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.13 40.49 1.74 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.264 0.554 . . . . 0.0 110.342 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -157.68 -145.24 0.14 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 76' ' ' ASP . 82.3 mtp180 -107.11 -93.7 0.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.994 0.361 . . . . 0.0 111.403 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 2.4 p-10 169.19 174.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 111.206 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD22 ' CG ' ' A' ' 86' ' ' MET . 4.8 mp -66.06 116.8 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.7 t -92.09 -174.68 3.84 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.9 -50.42 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 110.542 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.18 -49.36 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.398 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' LEU . 11.3 mt-10 -71.78 -31.26 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.401 -178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.412 ' HA ' ' HG3' ' A' ' 86' ' ' MET . 52.0 m -59.53 -50.66 73.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.445 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 4.6 mmpt? -76.08 -29.97 58.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.094 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 89.1 m -88.36 -58.35 2.59 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -177.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 26' ' ' HIS . 4.7 tp -80.17 -50.37 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.464 ' CG ' HD22 ' A' ' 77' ' ' LEU . 26.4 mtt -63.99 -52.29 60.25 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.721 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.08 98.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -70.69 -47.66 58.75 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' HD22 ' A' ' 105' ' ' LEU . . . -47.23 -35.83 9.64 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.947 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 93' ' ' GLY . 3.0 p30 -95.77 38.39 1.17 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HG2' HG21 ' A' ' 104' ' ' THR . 26.0 mmmt -34.26 -32.44 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.19 37.63 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -131.39 -165.46 11.44 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.979 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.26 18.81 17.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.518 0.199 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.424 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 104.53 41.71 1.98 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.568 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 45.6 mttp -150.77 140.96 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.882 0.372 . . . . 0.0 110.711 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.412 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 21.1 mt -106.9 111.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.985 0.422 . . . . 0.0 110.578 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' A' ' 57' ' ' PHE . . . -109.91 -154.56 14.94 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.059 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.9 p -68.49 -43.38 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.2 0.5 . . . . 0.0 111.562 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.6 pt-20 -72.0 -51.9 19.63 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 1.4 mp0 -57.84 -33.48 68.7 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.896 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 4.3 t80 -52.73 -23.38 6.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.304 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -74.57 -38.86 62.55 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.451 HG21 ' HG2' ' A' ' 91' ' ' LYS . 87.6 m -61.57 -42.96 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.907 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.482 ' CG ' ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -58.61 -23.61 59.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.63 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.4 -34.9 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.57 -27.11 37.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.506 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.454 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 31.7 mt-10 -64.0 -67.52 0.42 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.67 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.451 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.23 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.455 ' HG3' ' CG2' ' A' ' 46' ' ' VAL . 15.9 tmm? . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.86 0.362 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p -68.41 -27.5 66.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.46 -25.9 66.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.437 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 4.8 mp -102.21 -60.86 1.47 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.708 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.445 ' CB ' HD11 ' A' ' 11' ' ' ILE . 37.4 mt -74.63 137.65 42.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.615 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 p -54.48 111.14 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.284 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.96 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.399 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 17.6 tt0 -66.79 -49.08 66.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.55 -53.79 49.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.476 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.445 HD11 ' CB ' ' A' ' 6' ' ' LEU . 20.3 mt -56.57 -53.34 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.591 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -54.46 -42.61 70.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 34.5 mtpt -71.22 -53.02 15.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.224 0.535 . . . . 0.0 111.24 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.42 -35.77 80.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.178 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 74' ' ' ALA . 6.5 mm -63.68 -55.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.42 -4.32 60.94 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -92.12 -7.84 47.38 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.181 0.991 . . . . 0.0 112.783 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 3.1 m-30 -115.35 111.01 20.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.1 p -91.88 -48.9 6.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.344 178.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -100.3 -50.63 3.88 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.054 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -38.02 -66.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 15.9 p-10 -71.06 -21.3 62.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -52.16 -44.92 64.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.921 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 35.3 p90 -95.53 -36.68 11.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 66.8 t0 -146.27 105.17 3.87 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.475 ' CD2' ' OE2' ' A' ' 81' ' ' GLU . 35.8 m-70 -71.74 -12.15 61.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.78 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG3' ' OD1' ' A' ' 25' ' ' ASP . 17.2 mtmm -47.5 -52.77 16.26 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.14 -0.35 . . . . 0.0 110.505 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.35 -44.71 92.64 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 20.2 t80 -55.5 -31.67 62.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.287 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.39 -28.85 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.206 0.527 . . . . 0.0 110.071 178.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 22.0 mt-30 -84.28 -49.32 8.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.96 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.454 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 37.7 mtt -72.39 -27.74 62.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.439 HG13 ' HA ' ' A' ' 30' ' ' PHE . 13.8 p -67.04 -25.41 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.85 17.35 30.6 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.286 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.479 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -72.8 -32.06 65.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.261 0.553 . . . . 0.0 109.956 179.428 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.7 mtpp -87.18 10.91 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.942 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HG2' ' HG3' ' A' ' 38' ' ' LYS . 48.9 tttm -47.54 -65.83 0.5 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.505 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 32.4 mtmt -106.41 -90.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.447 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -143.29 -178.88 6.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 111.041 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.426 ' CB ' ' CB ' ' A' ' 103' ' ' SER . . . -65.78 -20.12 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.295 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.21 -44.39 92.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -67.37 -52.31 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.153 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.448 ' CG1' ' CD2' ' A' ' 35' ' ' LEU . 35.1 m -56.31 -35.55 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -49.53 -30.61 8.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.78 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 5.7 mptp? -59.77 -52.32 65.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 2' ' ' MET . 11.3 p -55.01 -26.7 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -60.67 -46.12 91.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.433 179.678 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' LYS . 85.7 m-70 -69.79 -41.52 74.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.365 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 45' ' ' LYS . 8.8 mm -52.58 -50.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 109.865 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -80.54 -37.79 30.85 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.327 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -120.05 61.77 0.85 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -71.57 -53.01 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.496 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 18.6 t70 -115.59 11.0 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -52.21 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.979 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m 171.28 36.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.773 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.25 10.14 39.83 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 57' ' ' PHE . 4.7 p90 -164.58 144.28 7.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -103.74 143.57 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.442 0.639 . . . . 0.0 111.259 -178.209 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 96' ' ' LYS . 27.4 mt-10 -100.54 122.45 43.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.57 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 4.3 pt-20 -42.96 -32.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.843 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 7.2 m-20 -70.49 -52.88 18.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.67 -18.11 58.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.994 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -47.13 -51.0 19.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.255 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.35 -28.06 42.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.884 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.51 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.9 m -81.09 -62.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.453 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 4.7 tp -56.28 -17.15 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.328 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.493 HD13 ' CE2' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -45.32 -47.67 13.2 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.91 -13.11 0.09 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -178.256 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.14 -55.02 10.82 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 119.378 -1.391 . . . . 0.0 110.409 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.493 ' CE2' HD13 ' A' ' 67' ' ' LEU . 4.2 p90 -98.61 -39.36 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 122.152 0.977 . . . . 0.0 108.586 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.412 ' HA ' HD11 ' A' ' 15' ' ' ILE . 18.7 t -73.79 2.33 8.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.484 -1.689 . . . . 0.0 113.057 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -45.79 -25.79 0.56 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.929 -0.482 . . . . 0.0 111.325 -179.032 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 5.0 m-20 -120.14 25.13 10.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.547 178.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.447 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -134.07 -155.46 0.66 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.438 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' NE ' ' OG ' ' A' ' 23' ' ' SER . 63.0 mtp85 -101.32 166.82 10.56 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.003 0.43 . . . . 0.0 111.398 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.3 161.53 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.367 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.43 ' HG ' ' CB ' ' A' ' 81' ' ' GLU . 1.5 tp -77.02 124.51 27.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.67 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 47.9 t -103.13 -167.49 1.39 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.76 0.314 . . . . 0.0 110.37 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -51.31 -50.46 59.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.289 0.566 . . . . 0.0 110.761 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 84' ' ' THR . 99.1 mttt -60.61 -54.94 39.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.855 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.475 ' OE2' ' CD2' ' A' ' 26' ' ' HIS . 5.4 mt-10 -66.76 -35.16 79.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.65 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 99.0 m -60.64 -49.38 77.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 30.3 mmmt -73.65 -25.32 60.22 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.93 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.448 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 88.5 m -86.05 -56.19 3.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.081 0.467 . . . . 0.0 112.086 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 85' ' ' LEU . 4.2 mm? -72.42 -48.26 42.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.422 ' SD ' ' HG ' ' A' ' 63' ' ' LEU . 5.9 mmm -81.68 -50.69 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.55 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -59.69 -30.82 69.05 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.838 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -83.69 -56.09 3.91 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.158 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.421 ' HA3' HD11 ' A' ' 97' ' ' ILE . . . -56.36 -28.34 54.99 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.338 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 92' ' ' ASP . 36.0 t70 -96.07 38.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.336 . . . . 0.0 110.351 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -32.69 -25.83 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.529 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 12.1 t70 -58.06 -21.63 46.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.828 0.74 . . . . 0.0 109.978 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.15 53.75 7.52 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.862 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 18.6 t70 -113.27 -9.74 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.54 -18.03 56.03 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.209 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -123.1 143.14 50.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.414 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -102.78 111.58 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.094 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -101.96 -173.43 27.77 Favored Glycine 0 N--CA 1.44 -1.048 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.981 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.2 -31.47 42.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.42 -54.99 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.151 0.501 . . . . 0.0 111.255 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.76 -22.75 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.217 -179.295 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CD1' ' CE2' ' A' ' 47' ' ' PHE . 3.3 t80 -51.18 -50.5 58.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . 47.3 t -57.01 -29.85 63.68 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.443 HG21 ' CG ' ' A' ' 91' ' ' LYS . 13.5 m -70.19 -40.27 74.73 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.225 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.51 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -58.57 -38.26 77.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.2 -51.4 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.05 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.54 81.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.326 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -52.86 -68.55 0.16 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.314 0.578 . . . . 0.0 110.549 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 3.4 t . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.442 ' HE3' ' CA ' ' A' ' 46' ' ' VAL . 12.9 tpp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.027 0.441 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.444 HG21 ' CB ' ' A' ' 8' ' ' ALA . 31.0 p -98.64 -30.43 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.338 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.43 -19.38 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.285 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.434 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 5.5 mp -119.2 -65.86 1.13 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 111.373 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 21.1 mt -74.27 144.47 44.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 2.7 p -51.7 110.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.444 ' CB ' HG21 ' A' ' 3' ' ' THR . . . -61.93 -43.59 98.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 14.8 tt0 -73.2 -50.15 24.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.792 0.33 . . . . 0.0 110.989 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.41 ' HB3' ' OG ' ' A' ' 7' ' ' SER . 10.8 t0 -49.83 -46.69 51.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.037 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.45 HG12 HG22 ' A' ' 33' ' ' VAL . 20.8 mt -56.78 -45.15 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.405 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.59 -42.62 97.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.897 0.38 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 9' ' ' GLU . 1.8 mtpp -67.65 -50.54 57.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -67.45 -36.91 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.509 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.53 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 5.3 mt -67.51 -36.85 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.56 -4.97 63.58 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.1 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.06 32.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.045 0.423 . . . . 0.0 111.894 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CG ' ' HB2' ' A' ' 22' ' ' ASP . 12.8 m-85 -109.9 74.73 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.252 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -92.33 -36.6 13.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.33 -61.39 1.44 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.84 -67.87 0.83 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . 11.8 m-20 -56.93 -17.62 10.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.747 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -45.45 -25.99 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.667 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 25' ' ' ASP . 5.6 p90 -84.54 -47.5 10.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.472 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.543 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.1 p30 -78.81 85.97 4.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.65 0.262 . . . . 0.0 110.949 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -70.79 -14.34 62.38 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.505 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -57.09 14.18 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.547 0.689 . . . . 0.0 110.361 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -38.32 68.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.685 -1.143 . . . . 0.0 107.939 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CZ ' ' CG1' ' A' ' 15' ' ' ILE . 27.0 t80 -63.47 -37.07 85.89 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.55 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.5 ' HA ' HG13 ' A' ' 33' ' ' VAL . 6.3 t80 -52.08 -27.42 13.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.233 0.539 . . . . 0.0 109.762 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 41.6 mt-30 -84.35 -54.37 4.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.486 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.3 mtp -71.46 -20.39 62.09 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.518 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 13.4 p -74.1 -24.65 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.117 0.484 . . . . 0.0 111.103 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.2 24.18 41.57 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.391 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.488 HD23 ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -74.33 -31.61 62.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -79.6 -8.61 59.3 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.661 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -45.37 -27.6 0.71 Allowed 'General case' 0 C--N 1.345 0.388 0 CA-C-O 120.818 0.342 . . . . 0.0 110.995 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -143.22 -179.76 6.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.28 157.57 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.983 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 43' ' ' VAL . . . -54.54 -20.74 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 9.7 m-20 -62.31 -34.66 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.092 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.97 -52.74 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 29.1 m -57.3 -40.84 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.395 0.617 . . . . 0.0 110.32 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 64.5 mttt -52.47 -27.34 15.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 14.1 mptt -56.89 -47.12 81.25 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' CA ' ' HE3' ' A' ' 2' ' ' MET . 0.6 OUTLIER -58.24 -28.75 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.709 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 102' ' ' PHE . 9.3 t80 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.753 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.0 -37.96 89.34 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 45' ' ' LYS . 37.5 mm -55.52 -48.67 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.32 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 66' ' ' ILE . 5.3 mt -89.13 -24.09 22.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.338 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 1.8 m-20 -91.71 26.6 2.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 111.711 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -62.12 -41.04 97.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.47 -19.21 13.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -62.79 -14.24 42.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.54 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m 69.85 22.89 5.78 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.28 -12.66 58.61 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.345 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.468 ' CD2' ' HA3' ' A' ' 98' ' ' GLY . 36.2 m-85 -144.49 132.77 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.16 0.505 . . . . 0.0 111.331 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.535 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 1.4 mp -103.97 144.0 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -99.98 137.78 37.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.858 -177.122 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 0.2 OUTLIER -32.08 -38.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.873 0.733 . . . . 0.0 112.573 -177.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.69 -52.38 26.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.6 mm-40 -76.95 -17.68 58.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.395 178.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -50.4 -24.04 2.79 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.818 179.134 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.47 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -74.86 -20.17 79.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.702 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -86.52 -51.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.83 0.824 . . . . 0.0 108.794 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -52.77 -41.0 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.0 179.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' HG ' ' CB ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.18 -39.83 45.01 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 111.159 -179.651 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 38.5 mttp -50.01 -26.56 4.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.939 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.446 ' HA3' ' CD1' ' A' ' 50' ' ' LEU . . . -44.34 -48.38 8.45 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.657 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 49.8 p90 -95.19 -49.2 5.6 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.428 0.633 . . . . 0.0 109.481 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.496 ' HB3' ' CE2' ' A' ' 70' ' ' PHE . 60.2 p -69.83 -0.09 6.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.504 -1.226 . . . . 0.0 114.114 -177.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 30.1 t -46.49 -23.33 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.442 . . . . 0.0 111.55 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.14 29.78 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.522 0.201 . . . . 0.0 111.533 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.438 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -154.87 -90.19 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -152.34 -174.34 4.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.661 0.267 . . . . 0.0 110.806 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -127.9 146.9 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 112.012 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -35.82 135.45 0.3 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 178.383 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.6 m -113.15 -179.11 3.55 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.8 -50.42 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.285 0.564 . . . . 0.0 110.82 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.484 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 63.2 tttp -56.13 -54.08 49.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.18 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . 31.3 mt-10 -59.49 -25.95 64.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.478 ' HA ' HD11 ' A' ' 77' ' ' LEU . 48.6 m -63.34 -51.65 65.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 4.0 mmpt? -77.6 -27.98 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.819 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 37.3 m -88.39 -59.49 2.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.504 ' HB3' ' CD2' ' A' ' 26' ' ' HIS . 3.2 mm? -83.64 -52.17 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -177.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.467 ' CE ' ' N ' ' A' ' 86' ' ' MET . 5.2 mmt -61.09 -51.5 68.87 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.553 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -23.77 62.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.671 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.41 -65.28 0.98 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.074 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.435 ' CA ' HD11 ' A' ' 105' ' ' LEU . . . -49.96 -28.65 12.67 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.076 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' ASP . 13.4 p30 -95.17 39.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.68 0.392 . . . . 0.0 110.326 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.489 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.6 -32.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -178.242 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 90' ' ' ASP . 22.2 t70 -55.96 -19.96 14.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.393 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.55 46.37 7.4 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.208 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -109.96 -7.87 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.634 0.254 . . . . 0.0 111.047 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.8 27.97 72.57 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.906 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 55.1 mttt -152.06 142.68 22.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.784 0.326 . . . . 0.0 110.645 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.473 HG23 ' CE1' ' A' ' 47' ' ' PHE . 27.6 mt -104.9 141.07 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.894 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.468 ' HA3' ' CD2' ' A' ' 57' ' ' PHE . . . -142.25 171.18 24.72 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.343 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.6 p -47.73 -36.81 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -54.32 8.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 110.65 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -63.94 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.031 -179.16 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 5.5 t80 -53.55 -26.12 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.072 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.9 t -68.76 -45.2 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.053 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.489 HG21 ' CB ' ' A' ' 91' ' ' LYS . 85.0 m -58.38 -42.9 88.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.492 HD23 ' CE1' ' A' ' 26' ' ' HIS . 27.9 tp -54.71 -29.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.102 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.428 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 26.3 t -69.61 -41.76 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.038 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.04 -28.25 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.948 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -50.83 -65.87 0.48 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.818 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.426 ' OG ' ' HG3' ' A' ' 31' ' ' GLN . 26.8 t . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.98 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.441 ' HG3' ' CG2' ' A' ' 46' ' ' VAL . 35.5 ttp . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -73.36 -33.19 64.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.815 0.34 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -75.72 -25.08 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -106.42 -58.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CB ' HD11 ' A' ' 11' ' ' ILE . 16.1 mt -88.01 145.33 26.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.434 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 6.4 p -60.87 110.39 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.249 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.18 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.06 -48.95 79.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.163 0.506 . . . . 0.0 111.314 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.44 -52.13 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.241 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.482 HG12 ' CG2' ' A' ' 33' ' ' VAL . 19.2 mt -54.52 -53.44 31.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.456 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -55.84 -45.99 78.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 19.9 mtpp -67.94 -50.1 57.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.357 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -51.66 55.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.101 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.51 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 9.0 mt -56.86 -45.62 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.93 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.45 -37.12 32.09 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.576 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -75.29 -4.86 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.451 ' CG ' ' HB2' ' A' ' 21' ' ' ALA . 11.0 m-30 -115.16 88.87 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 23' ' ' SER . 95.1 m -90.72 -45.31 8.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -97.57 -37.29 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.192 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . . . -47.74 -66.0 0.47 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.769 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.405 ' OD2' ' CB ' ' A' ' 18' ' ' PHE . 68.8 m-20 -58.12 -30.6 66.43 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.8 -32.26 73.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.361 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ALA . 64.2 t80 -95.26 -48.02 6.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.819 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 24.0 t70 -159.49 101.61 1.53 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 111.753 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -70.81 -18.44 62.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.652 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' OG ' ' A' ' 109' ' ' SER . 30.1 mmmt -49.0 -50.71 34.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -59.41 -45.74 90.67 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 24.1 t80 -56.43 -36.14 68.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.565 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -52.73 -31.7 39.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.3 0.572 . . . . 0.0 109.528 178.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.4 mt-30 -84.66 -41.69 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.513 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.9 mmm -71.22 -35.8 71.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.392 0.615 . . . . 0.0 110.984 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 14.7 p -66.13 -21.99 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.895 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.64 20.17 54.73 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.856 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -67.6 -34.35 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.328 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.9 mtpp -78.78 -13.71 59.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.349 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 tmmt? -53.81 -22.84 10.41 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.69 0.281 . . . . 0.0 111.21 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -131.83 -174.34 3.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.012 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.5 p -87.27 171.91 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -50.54 -48.36 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.454 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -53.04 -38.0 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -70.55 -52.73 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 16.1 m -59.96 -36.32 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 110.919 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -49.94 -29.04 7.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.768 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 4.5 mptp? -57.53 -52.91 63.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.105 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 2' ' ' MET . 4.3 p -61.82 -26.98 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.673 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.498 ' CE1' HD12 ' A' ' 58' ' ' ILE . 41.0 t80 -74.1 -38.05 63.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.439 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -67.27 -43.15 82.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 45' ' ' LYS . 5.3 mm -48.41 -49.07 13.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.404 0.621 . . . . 0.0 110.167 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 66' ' ' ILE . 4.2 pp -86.82 -27.44 23.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.58 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.1 t70 -105.83 36.49 2.53 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 46.7 pttt -69.11 -49.17 59.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 111.568 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.53 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 22.0 t70 -115.87 20.01 14.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 57' ' ' PHE . 1.9 tppp? -80.68 3.64 21.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.716 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 9.0 t 82.1 4.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.59 -14.1 60.79 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.186 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 57' ' ' PHE . 2.9 p90 -141.97 133.39 26.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 110.077 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.498 HD12 ' CE1' ' A' ' 47' ' ' PHE . 2.9 mt -101.65 145.61 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.191 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.2 122.78 42.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.095 0.95 . . . . 0.0 111.7 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 3.1 pt-20 -36.82 -33.21 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.585 -1.643 . . . . 0.0 112.226 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 15.3 m-20 -70.95 -53.5 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 111.447 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -78.02 -19.99 53.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.143 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.502 ' HG ' ' CE ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -47.5 -47.36 27.58 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.511 -179.568 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.448 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -52.1 -36.03 42.88 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.348 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -75.79 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.269 0.557 . . . . 0.0 110.057 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 63' ' ' LEU . 7.3 tp -61.45 -15.75 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.5 ' HG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -51.61 -25.53 7.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.971 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -48.82 -21.99 0.74 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.013 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.6 -54.4 6.6 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.273 -0.965 . . . . 0.0 111.186 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.5 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 1.5 p90 -98.08 -43.74 6.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.571 0.701 . . . . 0.0 109.388 177.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' ALA . 96.0 p -70.95 2.07 4.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.776 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.7 p -45.76 -24.47 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.835 -0.541 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.16 -27.25 16.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.598 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -93.94 -156.84 0.51 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.25 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -100.11 -84.31 0.42 Allowed 'General case' 0 C--O 1.231 0.101 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -175.78 -169.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.819 0.342 . . . . 0.0 111.113 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -103.82 136.53 43.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 -179.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.5 m -106.78 -173.62 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.62 -50.83 31.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -51.12 -53.81 30.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -72.32 -25.63 61.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 60' ' ' GLU . 95.1 m -62.6 -49.81 73.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 14.9 mtpt -76.66 -29.0 56.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.19 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 42.9 m -88.7 -57.72 2.81 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 81' ' ' GLU . 34.6 tp -74.44 -48.88 24.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -176.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.502 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mmm -75.26 -53.62 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.027 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -64.35 -25.16 67.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.527 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -82.85 -39.82 21.13 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.342 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.496 ' CA ' ' HB3' ' A' ' 105' ' ' LEU . . . -69.07 -38.88 84.35 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.76 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' ASP . 4.2 p30 -92.12 39.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.482 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.469 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -30.71 -28.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.362 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASP . 12.7 t70 -56.51 -21.05 23.41 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.776 -0.577 . . . . 0.0 109.617 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 10.19 63.45 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.782 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.45 -6.05 40.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.185 0.492 . . . . 0.0 110.966 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.46 24.86 68.07 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.165 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 50.1 mttp -145.18 139.34 27.16 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.067 0.46 . . . . 0.0 110.669 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.457 ' CD1' HD23 ' A' ' 105' ' ' LEU . 25.5 mt -106.78 112.06 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.292 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -110.88 170.3 13.81 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.473 ' N ' ' CE2' ' A' ' 47' ' ' PHE . 14.6 p -46.72 -29.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 117.104 0.452 . . . . 0.0 111.244 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.65 -51.99 17.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.275 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.476 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -73.04 -23.0 60.54 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.462 ' HA ' ' CG ' ' A' ' 105' ' ' LEU . 1.9 t80 -52.1 -31.61 31.48 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.3 0.571 . . . . 0.0 109.857 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 93.0 p -71.08 -31.17 67.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.469 HG21 ' CG ' ' A' ' 91' ' ' LYS . 2.9 m -68.48 -48.48 64.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.749 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.496 ' HB3' ' CA ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -59.62 -38.51 81.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.529 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.1 -29.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.62 34.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.386 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -70.38 0.14 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.964 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.3 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.333 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.433 ' CG ' HD11 ' A' ' 6' ' ' LEU . 15.2 ttp . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.0 m -65.78 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.11 0.481 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.76 -25.7 21.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.483 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.473 ' CD1' ' CB ' ' A' ' 45' ' ' LYS . 23.3 mt -84.25 -64.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.586 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.444 ' CB ' HD11 ' A' ' 11' ' ' ILE . 62.7 mt -75.43 145.66 41.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 3.0 p -50.05 110.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.396 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.91 89.8 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 28.8 tt0 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.155 0.502 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -55.55 -54.54 42.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.124 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.448 HG12 ' CG2' ' A' ' 33' ' ' VAL . 15.4 mt -57.01 -53.57 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.683 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -53.21 -50.78 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 1.2 mtpm? -66.02 -51.77 55.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.382 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.179 0.514 . . . . 0.0 111.615 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.428 ' CG2' ' HB2' ' A' ' 73' ' ' ASP . 5.4 mm -54.67 -51.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.26 -3.44 61.59 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.641 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -82.81 -29.09 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -117.08 120.48 38.46 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 0.0 112.144 -178.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 9.2 t -91.83 -34.22 14.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -97.97 -45.5 6.25 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.816 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB3' ' CB ' ' A' ' 18' ' ' PHE . . . -43.76 -66.79 0.34 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' OD2' ' CD2' ' A' ' 29' ' ' PHE . 4.4 t70 -61.97 -19.03 62.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.884 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -72.0 -56.21 6.06 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.631 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 42.0 p90 -95.77 -18.53 20.35 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' N ' ' OE2' ' A' ' 81' ' ' GLU . 24.2 t0 -164.13 96.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.248 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -71.17 -20.24 62.31 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.63 179.154 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.416 ' O ' ' OG ' ' A' ' 109' ' ' SER . 0.5 OUTLIER -45.49 -49.39 13.66 Favored 'General case' 0 C--N 1.34 0.194 0 O-C-N 121.87 -0.519 . . . . 0.0 110.378 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.63 -50.5 73.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 2.1 t80 -54.16 -28.64 41.52 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.414 178.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CD2' ' CE1' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -63.45 -26.92 68.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.186 178.293 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.521 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 50.9 mt-30 -85.01 -42.51 14.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.491 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 5.1 mmt -69.51 -35.47 75.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.757 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.493 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 14.2 p -66.46 -20.42 27.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.697 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.39 31.97 44.4 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.597 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 30' ' ' PHE . 3.5 mt -70.5 -27.34 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 0.0 109.932 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 1.1 mtmm -94.48 -4.96 47.19 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.261 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -43.41 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.344 0.333 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -75.22 -96.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.899 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.9 p -146.11 167.64 22.91 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.783 0.325 . . . . 0.0 110.682 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 103' ' ' SER . . . -61.56 -21.18 64.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -71.17 -51.51 24.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.082 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -51.89 -46.04 64.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.214 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 44' ' ' LYS . 21.5 m -71.09 -41.42 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.582 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 10.5 ttpt -53.86 -28.41 35.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.619 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CB ' ' CD1' ' A' ' 5' ' ' LEU . 5.9 mptp? -58.15 -46.52 85.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.456 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.414 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 3.7 p -52.92 -27.09 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.248 0.547 . . . . 0.0 109.83 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.481 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 34.4 t80 -46.42 -51.31 15.33 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.485 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -70.29 -30.97 68.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.071 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 38.9 mm -61.29 -48.74 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.89 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -87.33 -33.92 19.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.28 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.9 t70 -84.29 10.49 10.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' HB2' ' A' ' 53' ' ' ASP . 3.6 pptp? -54.14 -39.19 66.27 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.166 -0.213 . . . . 0.0 111.447 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 22.7 t70 -115.14 26.0 10.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HE3' ' CG ' ' A' ' 62' ' ' GLU . 35.0 mmtm -105.18 1.71 28.51 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.0 t 73.71 13.96 4.26 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.26 -2.57 54.43 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.287 -0.959 . . . . 0.0 113.987 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -145.64 141.87 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.295 0.547 . . . . 0.0 111.625 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -105.73 128.87 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.471 178.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' HG2' ' CD ' ' A' ' 96' ' ' LYS . 5.5 mt-10 -102.9 129.4 49.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.609 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.0 OUTLIER -35.31 -37.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.936 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -51.55 53.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' CG ' ' HE3' ' A' ' 54' ' ' LYS . 7.1 tp10 -77.46 -20.98 53.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.617 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -47.8 -48.03 30.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.945 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' HA2' HD13 ' A' ' 67' ' ' LEU . . . -59.53 -33.61 77.53 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.51 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -77.71 -56.88 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.359 0.599 . . . . 0.0 109.926 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.45 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 5.5 tp -59.33 -20.43 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.741 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.492 ' HG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -47.12 -28.31 1.73 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.189 0.518 . . . . 0.0 111.413 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -48.3 -20.61 0.41 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.339 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.1 -57.43 7.03 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.721 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.492 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 7.6 p90 -98.04 -36.45 10.11 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.851 0.834 . . . . 0.0 108.907 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.418 ' HA ' HD11 ' A' ' 15' ' ' ILE . 37.4 t -73.57 2.68 7.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 113.946 -1.479 . . . . 0.0 113.14 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 t -44.58 -25.34 0.26 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.046 -0.408 . . . . 0.0 111.879 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.428 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 5.4 m-20 -122.36 22.51 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.004 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.424 ' HB2' HG22 ' A' ' 15' ' ' ILE . . . -123.36 -157.28 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 19' ' ' THR . 11.1 mpt_? -94.46 -96.34 0.16 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 121.214 -0.195 . . . . 0.0 111.233 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 1.9 p-10 168.83 177.31 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.199 0.523 . . . . 0.0 111.877 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -88.25 115.41 25.73 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.215 179.251 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 m -92.79 -175.65 3.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.361 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.57 24.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.393 0.616 . . . . 0.0 110.481 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' THR . 60.2 tttp -56.89 -50.45 72.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.635 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.8 mm-40 -68.27 -31.89 71.67 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.74 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -61.2 -49.96 75.06 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.214 -0.995 . . . . 0.0 108.738 178.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.425 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 30.3 mmmt -76.2 -27.11 56.74 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.788 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' LYS . 85.1 m -88.61 -58.12 2.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 81' ' ' GLU . 15.6 tp -80.98 -50.41 9.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.415 ' HG3' ' HA ' ' A' ' 60' ' ' GLU . 3.7 tmm? -67.24 -48.13 68.72 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.774 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -64.33 -38.41 90.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.615 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.467 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . -67.29 -66.45 0.56 Allowed 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.547 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -43.86 -32.04 2.11 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-O 121.768 0.649 . . . . 0.0 112.141 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 92' ' ' ASP . 35.0 t70 -96.0 41.11 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.878 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.488 ' CE ' ' CG2' ' A' ' 104' ' ' THR . 1.6 mptp? -26.65 -41.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.483 0.713 . . . . 0.0 112.604 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.4 m-20 -54.01 -16.24 1.82 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.426 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 66.18 42.52 94.28 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.486 -0.388 . . . . 0.0 113.157 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.424 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 11.1 m-20 -96.84 -6.34 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.73 14.65 81.21 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.952 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -158.01 152.42 24.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.205 -179.002 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.4 mt -104.14 111.98 35.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.248 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.27 167.42 26.27 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.519 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.481 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -47.59 -38.42 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.832 0.316 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 101' ' ' GLU . 2.9 pp20? -71.73 -45.37 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.484 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' OE2' ' A' ' 100' ' ' GLU . 2.8 mm-40 -75.01 -22.8 58.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.333 . . . . 0.0 111.214 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -52.18 -36.53 52.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.187 0.518 . . . . 0.0 109.787 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.446 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . 15.4 m -78.08 -30.32 49.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.95 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.488 ' CG2' ' CE ' ' A' ' 91' ' ' LYS . 98.5 m -56.62 -47.66 79.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.179 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.547 ' HB2' ' CA ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -66.77 -23.27 66.06 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.992 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.75 -31.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.38 -31.85 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.181 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.9 mm-40 -52.13 -72.24 0.06 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.668 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.437 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 26.8 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.439 ' HE1' ' CB ' ' A' ' 46' ' ' VAL . 11.1 tpp -130.77 53.96 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.463 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.1 p -107.62 -27.41 10.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.47 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.67 -23.31 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.947 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.4 mm? -107.84 -64.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.63 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' CB ' HD11 ' A' ' 11' ' ' ILE . 77.4 mt -78.78 142.13 37.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 p -53.53 110.39 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.79 84.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.594 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 24.5 tt0 -63.98 -50.03 70.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.191 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.24 -54.19 28.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.205 0.526 . . . . 0.0 111.758 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.458 HD11 ' CB ' ' A' ' 6' ' ' LEU . 23.2 mt -56.86 -33.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.987 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -69.97 -45.63 66.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 1.3 mtpp -73.08 -52.2 15.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 111.044 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -56.0 -38.83 70.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.786 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 8.8 mt -74.19 -51.38 23.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.99 -4.86 81.56 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.694 -0.765 . . . . 0.0 114.719 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -91.57 -24.21 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.852 0.826 . . . . 0.0 111.995 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.27 105.29 12.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 111.776 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 20' ' ' ALA . 10.7 t -91.83 -47.74 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.522 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -99.18 -45.59 5.85 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 18' ' ' PHE . . . -48.38 -65.86 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' ' HB2' ' A' ' 18' ' ' PHE . 26.1 p-10 -59.29 -29.06 67.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -54.45 -25.68 26.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.155 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -92.81 -52.88 4.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -145.11 106.93 4.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 2.3 m80 -70.6 -10.92 60.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.466 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HD3' ' HB3' ' A' ' 88' ' ' ALA . 5.6 mmmt -47.77 -53.6 14.85 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.024 0.44 . . . . 0.0 110.41 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -59.05 -44.11 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 14.3 t80 -57.78 -34.42 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.279 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HA ' HG13 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -56.0 -28.87 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.004 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.437 ' HA ' ' HE2' ' A' ' 36' ' ' LYS . 44.3 mt-30 -84.19 -43.84 14.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.809 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.2 mmt -71.71 -32.72 68.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.417 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.456 HG13 ' HA ' ' A' ' 30' ' ' PHE . 8.3 p -66.15 -25.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.33 21.6 34.55 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.012 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 HD13 HG13 ' A' ' 33' ' ' VAL . 2.7 mt -71.59 -28.97 64.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 31' ' ' GLN . 28.6 mtmt -82.99 -23.14 33.46 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -30.3 11.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 6.0 mmpt? -114.72 -171.68 1.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.3 m -95.32 176.06 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.709 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.37 69.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.4 -49.9 76.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.026 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' LYS . 15.3 m-20 -58.95 -52.34 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.882 0.372 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 44' ' ' LYS . 27.8 m -60.79 -38.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.124 0.488 . . . . 0.0 110.361 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 19.2 tttm -59.75 -26.74 65.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.181 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HG3' ' HA ' ' A' ' 42' ' ' ASP . 9.4 mttm -55.08 -33.35 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.803 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.439 ' CB ' ' HE1' ' A' ' 2' ' ' MET . 1.7 p -80.97 -28.5 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.9 t80 -57.54 -35.17 69.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.956 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -72.65 -29.32 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 45' ' ' LYS . 42.1 mm -70.63 -47.55 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.192 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' CA ' HD11 ' A' ' 66' ' ' ILE . 3.9 pp -84.46 -42.39 15.65 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.308 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.494 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . 8.3 t70 -87.2 49.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 0.0 111.377 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.78 -51.68 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.134 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.494 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.9 t70 -115.6 22.93 12.75 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HE2' ' CG2' ' A' ' 58' ' ' ILE . 23.7 mmmt -88.48 7.09 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.796 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.0 p 59.22 34.18 23.0 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.17 64.65 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.424 -0.894 . . . . 0.0 113.965 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CE2' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -165.65 149.8 8.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.723 0.773 . . . . 0.0 112.335 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.449 ' HB ' ' CD2' ' A' ' 63' ' ' LEU . 2.2 mp -104.25 147.31 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.073 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' HD3' ' A' ' 96' ' ' LYS . 9.4 mt-10 -97.96 128.42 44.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.792 0.806 . . . . 0.0 111.426 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 3.6 pt-20 -33.77 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 113.933 -1.485 . . . . 0.0 112.258 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 20.9 m-20 -70.86 -51.87 23.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 0.0 110.504 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -79.31 -18.11 53.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.503 179.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -49.44 -32.45 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 110.651 179.655 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.39 73.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.075 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 37.8 t -86.1 -61.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.453 HD11 ' CA ' ' A' ' 50' ' ' LEU . 9.2 tp -51.34 -24.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.48 HD11 ' CE2' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -45.42 -51.25 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.71 -15.34 0.17 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.35 -52.36 13.83 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.854 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' A' ' 67' ' ' LEU . 3.0 p90 -98.09 -43.6 6.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.714 0.769 . . . . 0.0 109.374 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' ALA . 2.4 m -73.56 2.39 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.335 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.51 -24.24 0.3 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.914 -0.491 . . . . 0.0 111.715 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.7 -24.03 20.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.843 0.354 . . . . 0.0 111.154 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -110.6 -161.13 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.456 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -79.35 -173.51 3.72 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.284 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.31 -179.93 3.81 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.644 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 85' ' ' LEU . 4.3 tp -72.41 108.88 5.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 m -94.96 -175.34 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.47 30.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 110.5 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 84' ' ' THR . 95.7 mttt -56.07 -53.66 54.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.009 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 85' ' ' LEU . 26.9 mt-10 -69.13 -37.61 78.42 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 88.5 m -54.54 -50.0 68.93 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.369 -0.933 . . . . 0.0 108.52 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -77.15 -31.92 55.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.461 177.599 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.7 m -88.21 -58.14 2.67 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 81' ' ' GLU . 52.1 tp -77.91 -48.98 15.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.452 ' CG ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.12 -52.11 51.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.596 -179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -61.19 -29.62 69.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.042 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.71 -64.59 1.12 Allowed 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.415 178.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.454 ' O ' HD22 ' A' ' 105' ' ' LEU . . . -45.17 -43.62 9.33 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.676 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 7.0 p-10 -82.41 39.44 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.746 0.419 . . . . 0.0 111.332 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 91' ' ' LYS . 1.9 tmtp? -28.75 -36.54 0.01 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASP . 5.9 m-20 -55.79 -18.05 7.57 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.07 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.07 52.3 8.02 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.591 -0.337 . . . . 0.0 112.899 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.2 1.27 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.343 0.127 . . . . 0.0 111.343 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.96 10.58 56.43 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.011 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 64.5 mttt -151.23 164.24 37.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.641 -0.28 . . . . 0.0 110.774 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.0 mt -126.03 117.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.645 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.27 -177.34 17.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.42 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.64 -33.71 11.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.898 0.38 . . . . 0.0 111.259 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.69 -51.24 23.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.261 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.424 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -73.32 -30.84 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.458 ' HA ' ' CG ' ' A' ' 105' ' ' LEU . 3.1 t80 -52.56 -25.53 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.469 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -78.43 -38.9 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.405 HG21 ' HB3' ' A' ' 91' ' ' LYS . 1.8 m -62.36 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.56 -27.3 10.53 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.053 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.8 t -68.7 -34.43 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.915 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.58 -26.92 37.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.75 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 0.1 OUTLIER -58.6 -79.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.228 179.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 20.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.951 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.802 0.334 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 2' ' ' MET . 0.0 OUTLIER 53.88 57.12 6.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -96.8 -27.9 14.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.276 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.57 -27.59 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . 1.4 mt -102.69 -46.22 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 35' ' ' LEU . 28.3 mt -86.55 143.04 27.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.269 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -53.98 110.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.49 80.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.737 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.26 -48.24 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.272 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 1.3 m-20 -54.67 -52.65 61.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.43 0.633 . . . . 0.0 111.239 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.437 HD13 ' CB ' ' A' ' 6' ' ' LEU . 9.2 mt -56.33 -53.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.229 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -32.95 74.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.524 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mtpt -67.28 -53.78 26.73 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -70.98 -45.48 63.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.916 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.491 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 7.8 mt -57.67 -48.37 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.802 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.14 -19.59 69.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.761 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.28 -4.85 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -119.18 96.18 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.7 p -91.44 -48.66 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -99.76 -43.88 6.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.17 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . . . -39.26 -67.4 0.22 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.647 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -72.28 -21.83 61.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.083 0.468 . . . . 0.0 109.959 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.456 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.2 t -50.66 -44.93 57.74 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.85 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 5.7 p90 -96.06 -32.03 12.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.069 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -147.94 95.72 2.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.566 ' ND1' ' CD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -70.92 -19.13 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.223 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' HD3' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -45.7 -53.5 9.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.937 0.399 . . . . 0.0 110.766 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -43.21 95.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 1.8 t80 -59.7 -27.57 66.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.668 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CD2' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -63.11 -26.89 69.04 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.228 0.537 . . . . 0.0 109.848 177.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.512 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.7 mt-30 -85.45 -45.63 11.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.2 mmt -72.23 -26.49 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.508 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.542 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 12.1 p -67.67 -24.53 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.57 21.37 40.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.455 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.523 ' CD2' HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -73.98 -36.95 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.651 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.512 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.8 mtpp -75.4 -23.14 57.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.748 178.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -43.26 -41.82 4.1 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.338 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 5' ' ' LEU . 11.0 ttmt -101.32 -144.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.865 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -118.79 160.93 20.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -50.67 -27.56 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.53 -56.74 7.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 7.8 m-20 -60.53 -48.48 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 111.035 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 16.9 m -61.79 -36.89 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 109.78 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 28.2 mttt -54.57 -29.32 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.307 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 18.3 mmtp -55.73 -41.66 74.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.028 -177.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.422 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 5.9 p -57.3 -26.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 23.6 t80 -49.46 -45.01 46.16 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -69.19 -29.44 67.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 0.0 109.78 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.5 mm -69.53 -50.71 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.748 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -86.61 -30.67 21.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.533 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' HD13 ' A' ' 50' ' ' LEU . 11.0 t70 -95.25 44.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 21.4 ptmt -70.23 -49.09 53.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.645 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 4.9 p-10 -113.5 -2.98 13.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.867 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 39.1 mmtm -59.47 -16.35 23.49 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.139 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 14.4 t 77.64 34.92 0.33 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.767 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.85 -9.21 57.35 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.464 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -134.87 135.5 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.004 0.402 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.454 ' CG2' HD23 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -104.56 120.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.163 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.9 mt-10 -103.46 133.12 49.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.808 -177.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -34.46 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.599 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' GLU . 7.1 m-20 -65.36 -51.34 61.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -88.11 -21.34 24.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.232 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.454 HD23 ' CG2' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -50.9 -48.46 60.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.907 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.469 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -66.06 -26.39 72.38 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.865 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 34.2 t -80.88 -60.42 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.339 0.59 . . . . 0.0 109.425 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.456 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.8 tp -51.5 -22.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.174 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.495 HD11 ' CE2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -46.15 -49.67 16.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.6 -13.02 0.11 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.13 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.05 21.04 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 119.534 -1.317 . . . . 0.0 110.484 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.495 ' CE2' HD11 ' A' ' 67' ' ' LEU . 1.1 p90 -98.15 -46.02 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.77 0.795 . . . . 0.0 109.229 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.4 m -71.02 2.13 4.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.065 -1.425 . . . . 0.0 113.696 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.3 p -44.93 -25.52 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.403 0.547 . . . . 0.0 111.582 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.421 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.4 m-20 -103.63 34.62 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.597 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -171.69 -158.88 0.14 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.332 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -84.4 -172.45 4.17 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.869 0.366 . . . . 0.0 111.467 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -119.55 -163.39 0.98 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.469 HD21 ' N ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -96.36 127.16 42.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' THR . 46.7 t -105.85 -169.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.0 111.045 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -48.73 -51.14 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 97.9 mttt -55.72 -44.24 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.795 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.3 mt-10 -75.24 -27.22 59.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.429 ' N ' HD13 ' A' ' 77' ' ' LEU . 96.0 m -63.57 -48.94 75.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 14.2 mmmm -75.89 -32.57 59.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.832 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' LYS . 91.3 m -87.95 -57.6 2.88 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 9.4 tp -78.26 -50.72 11.33 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.427 ' CE ' ' O ' ' A' ' 95' ' ' GLY . 7.0 ttp -65.81 -47.98 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.108 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -67.23 -36.96 82.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.97 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -59.39 -61.14 2.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.589 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.443 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -55.78 -42.45 85.61 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.477 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 92' ' ' ASP . 25.3 t70 -96.32 38.63 1.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -31.56 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ASP . 17.1 m-20 -57.83 -18.81 24.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.266 0.485 . . . . 0.0 111.097 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.5 64.13 2.33 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.571 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.34 -7.56 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' A' ' 86' ' ' MET . . . 87.33 -7.7 79.76 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.111 -1.042 . . . . 0.0 112.9 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -146.86 154.81 41.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.565 0.346 . . . . 0.0 110.274 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.42 HG21 HD12 ' A' ' 97' ' ' ILE . 57.2 mt -104.13 112.27 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.514 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.67 -176.4 46.97 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.755 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.467 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 12.6 p -65.68 -31.69 54.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.634 0.254 . . . . 0.0 111.367 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.416 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.5 OUTLIER -72.42 -54.05 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 110.578 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.451 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.16 -26.73 65.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.34 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -52.57 -28.66 21.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.01 0.434 . . . . 0.0 109.906 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.431 ' OG ' ' CB ' ' A' ' 40' ' ' ALA . 43.8 t -77.1 -36.46 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.086 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.455 HG21 ' CD ' ' A' ' 91' ' ' LYS . 70.5 m -60.45 -32.76 71.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.756 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -58.21 -35.08 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.53 -35.26 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.76 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.536 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.36 -69.24 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.211 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.0 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.733 0.302 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.528 ' CG ' ' HB ' ' A' ' 46' ' ' VAL . 5.5 mmt -55.62 121.25 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.2 p -127.95 -40.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.373 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -84.87 -23.8 28.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 2.9 mp -100.25 -70.18 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.844 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' HB2' ' CB ' ' A' ' 2' ' ' MET . 63.1 mt -75.82 147.01 39.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.254 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -58.35 109.32 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.844 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.01 89.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.175 0.512 . . . . 0.0 110.875 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 25.6 tt0 -57.51 -41.51 80.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 1.5 m-20 -69.78 -52.27 26.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.435 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.446 HG12 ' CG2' ' A' ' 33' ' ' VAL . 7.4 mt -53.97 -34.73 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.374 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -70.09 -51.47 31.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.812 0.339 . . . . 0.0 110.617 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 31.8 mttt -69.46 -52.23 28.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.319 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.49 68.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.736 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.55 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 12.0 mt -66.94 -50.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.231 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.68 -4.47 72.91 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.603 -0.808 . . . . 0.0 114.111 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -81.43 -48.84 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.362 0.581 . . . . 0.0 111.891 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -136.68 63.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 112.032 -179.229 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 p -50.49 -47.42 57.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.265 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.72 -51.65 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.331 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 18' ' ' PHE . . . -51.45 -49.27 62.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.293 0.568 . . . . 0.0 109.883 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -66.16 -32.75 74.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.884 178.232 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -56.93 -54.26 48.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 25.4 p90 -96.2 -8.92 31.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.442 ' CA ' ' OE2' ' A' ' 81' ' ' GLU . 2.3 m-20 -170.35 92.74 0.2 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 22' ' ' ASP . 67.9 m-70 -70.16 -14.57 62.7 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.568 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -49.7 -52.0 34.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.702 0.287 . . . . 0.0 110.577 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -59.29 -47.17 86.38 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' ' CG1' ' A' ' 15' ' ' ILE . 36.0 t80 -54.76 -36.2 64.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.426 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.511 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -52.65 -32.24 41.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.264 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.501 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.1 mt-30 -83.77 -45.42 13.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.047 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.453 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -72.39 -34.38 67.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.494 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 14.5 p -64.65 -21.21 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.698 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.67 58.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.772 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -63.66 -33.6 75.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.7 mtpp -81.94 -23.13 36.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.584 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -48.44 -42.46 32.46 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.135 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 10.0 mmpt? -101.33 -179.86 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.899 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -86.99 162.57 17.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.279 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.49 -30.39 12.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.794 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 8.3 m-20 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' CB ' ' HB3' ' A' ' 38' ' ' LYS . 8.1 m-20 -62.37 -52.92 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 46' ' ' VAL . 35.9 m -57.7 -38.49 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.622 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 72.8 mttt -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.466 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 1.2 mptm? -58.77 -53.12 61.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.108 0.48 . . . . 0.0 110.126 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.528 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 2.3 p -51.7 -25.83 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.979 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.507 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 36.4 t80 -51.84 -61.74 2.07 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.455 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -64.72 -33.04 75.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 46' ' ' VAL . 7.7 mt -53.49 -49.04 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.612 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 3.9 pp -87.88 -30.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.921 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.47 ' OD2' ' CD1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -120.13 58.93 0.9 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.177 -0.327 . . . . 0.0 110.987 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -35.1 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.587 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -114.13 26.06 10.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.761 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 71.4 mmtt -97.36 -3.11 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.9 t 76.19 11.65 2.86 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.15 16.3 35.72 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.378 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -155.67 135.13 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.589 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' A' ' 50' ' ' LEU . 3.4 mt -104.91 138.11 31.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.355 0.598 . . . . 0.0 110.885 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 62' ' ' GLU . 3.4 mm-40 -105.65 129.0 53.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.241 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' ' HE2' ' A' ' 86' ' ' MET . 0.0 OUTLIER -34.92 -32.71 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.471 -179.566 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.7 m-20 -66.56 -50.46 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 109.997 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 15.8 mm-40 -85.68 -19.55 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.526 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -52.3 -53.5 43.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.037 0.446 . . . . 0.0 110.42 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.424 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -60.88 -21.3 58.5 Favored Glycine 0 C--N 1.318 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.171 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.3 m -82.78 -61.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 5.5 tp -54.26 -18.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.438 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.421 ' HG ' ' HB3' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -44.13 -49.08 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.267 179.126 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -51.36 -16.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.62 -49.63 15.81 Favored Glycine 0 C--N 1.341 0.812 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.331 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 71' ' ' SER . 9.8 p90 -96.77 -51.07 4.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 78.7 p -67.63 2.96 1.56 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 113.985 -1.461 . . . . 0.0 114.478 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.3 p -44.83 -24.57 0.22 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.728 0.695 . . . . 0.0 111.504 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' HB3' HG22 ' A' ' 15' ' ' ILE . 5.7 t70 -95.26 -26.02 16.11 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 110.639 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -108.33 -166.97 1.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -83.95 -179.98 7.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.004 0.431 . . . . 0.0 111.736 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -93.02 -170.22 2.36 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.403 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -93.04 136.54 33.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.4 p -105.52 -175.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.61 -50.22 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.146 0.498 . . . . 0.0 110.81 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 84' ' ' THR . 6.6 mtpm? -50.57 -51.97 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.55 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.9 mm-40 -71.5 -32.45 68.23 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.0 m -55.65 -49.21 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 5.1 mmpt? -76.94 -43.21 36.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.084 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 86.6 m -74.55 -54.97 6.45 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -175.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' GLU . 3.6 mm? -73.85 -43.24 59.27 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.436 ' HE2' ' N ' ' A' ' 60' ' ' GLU . 14.2 mtp -72.75 -50.94 21.29 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.379 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -62.85 -30.2 71.33 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.944 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -70.13 -58.3 3.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.707 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.446 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -56.32 -35.76 66.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.294 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.0 p30 -95.01 38.79 1.12 Allowed 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 122.407 0.283 . . . . 0.0 110.718 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.32 -36.21 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -178.555 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -57.27 -18.33 16.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.717 0.294 . . . . 0.0 111.42 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.26 60.09 2.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 116.395 -0.366 . . . . 0.0 112.888 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -113.61 -9.54 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.15 -26.12 9.23 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.212 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -126.35 157.25 38.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.546 0.338 . . . . 0.0 110.263 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.405 HG21 HD12 ' A' ' 97' ' ' ILE . 33.0 mt -106.3 112.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.045 0.45 . . . . 0.0 111.616 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.83 25.83 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.743 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.507 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 10.8 p -47.86 -35.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -54.35 9.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.47 0.652 . . . . 0.0 110.158 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -59.61 -32.72 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.11 -179.654 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -52.2 -25.43 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.197 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.3 p -70.27 -45.1 67.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.504 HG21 ' CB ' ' A' ' 91' ' ' LYS . 88.1 m -58.19 -38.53 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.219 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.511 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -53.01 -36.71 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.414 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.82 -42.14 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.37 -26.57 46.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.55 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -57.39 -69.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.755 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 7.2 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.796 0.332 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.443 ' HE1' ' CA ' ' A' ' 46' ' ' VAL . 6.1 tpp 52.62 65.63 1.46 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.9 m -110.28 -43.95 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.04 -17.4 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mt -108.21 -70.77 0.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.191 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' CB ' HD11 ' A' ' 11' ' ' ILE . 56.6 mt -84.8 140.93 30.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.428 ' OG ' ' CB ' ' A' ' 10' ' ' ASP . 7.2 p -52.65 110.21 0.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.22 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.35 -41.67 84.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 11.0 t0 -56.01 -52.54 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.44 HD11 ' CB ' ' A' ' 6' ' ' LEU . 10.8 mt -56.53 -53.69 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.134 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.49 -45.14 94.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.477 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 15.6 mtpp -64.08 -52.44 59.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.284 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.05 85.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.779 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.534 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 8.7 mt -54.47 -48.65 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -9.13 58.05 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.593 -0.813 . . . . 0.0 114.146 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -64.78 -57.07 9.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.512 0.656 . . . . 0.0 111.688 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -134.17 70.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.8 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 p -41.73 -34.73 0.66 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 111.422 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -49.49 -43.67 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 18' ' ' PHE . . . -48.76 -64.97 0.65 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.074 0.464 . . . . 0.0 110.024 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.16 -22.54 66.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.686 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 3.3 t -61.78 -53.92 49.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.725 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 26.3 p90 -95.47 -41.18 9.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.471 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.6 m-20 -152.6 107.75 3.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 111.761 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -69.86 -14.32 62.69 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -50.7 -51.09 52.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -59.71 -44.21 93.79 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 27.7 t80 -57.27 -37.0 71.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.218 178.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.6 -28.47 21.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.194 0.521 . . . . 0.0 109.691 178.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 37.2 mt-30 -83.31 -49.05 9.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.17 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.478 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 14.0 mmt -71.67 -27.73 63.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.899 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.486 HG21 ' CZ ' ' A' ' 29' ' ' PHE . 14.2 p -70.59 -24.98 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.425 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' OD2' ' A' ' 10' ' ' ASP . . . 89.27 20.53 45.09 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.598 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -70.84 -26.98 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.255 0.55 . . . . 0.0 109.732 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.3 mtpp -83.77 5.95 23.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.705 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -52.14 -55.33 21.64 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 110.719 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -124.63 -173.21 2.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.281 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 m -55.1 173.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.24 -20.13 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -63.07 -44.87 94.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 5.0 m-20 -61.03 -52.53 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.709 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 28.6 m -61.04 -42.1 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.306 0.574 . . . . 0.0 110.423 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' CE ' HG11 ' A' ' 99' ' ' VAL . 34.8 ttmt -52.47 -30.3 29.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.754 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 1.7 mptm? -58.9 -45.29 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.777 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' CA ' ' HE1' ' A' ' 2' ' ' MET . 1.5 p -62.58 -27.43 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CD1' ' CE1' ' A' ' 102' ' ' PHE . 10.0 t80 -60.79 -30.5 70.09 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -72.35 -30.73 65.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.51 -48.51 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.206 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.0 pp -86.44 -35.18 19.84 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.424 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' HD13 ' A' ' 50' ' ' LEU . 11.7 t70 -106.42 52.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.664 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.6 -54.33 12.43 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.505 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 4.0 p30 -116.62 23.17 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 55' ' ' SER . 26.6 tptp -84.28 -1.54 55.47 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 8.4 t 82.83 15.06 0.38 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 -13.36 54.35 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.397 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 86.6 m-85 -128.33 127.52 42.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.532 ' HB ' ' CD2' ' A' ' 63' ' ' LEU . 7.3 mt -104.14 142.22 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.419 0.628 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -104.68 142.4 34.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.514 -176.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.465 ' N ' HD13 ' A' ' 63' ' ' LEU . 1.8 pt-20 -38.13 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.344 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 m-20 -69.15 -51.78 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.66 0.267 . . . . 0.0 111.195 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -85.27 -26.76 26.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 110.094 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.532 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 16.0 mt -46.67 -49.8 18.75 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.685 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -68.37 -26.48 74.24 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 54.6 m -82.56 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 0.0 109.574 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.456 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 7.5 tp -56.72 -16.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.955 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.505 HD12 ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -61.12 -44.4 97.4 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -59.51 -8.3 1.82 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.572 -0.451 . . . . 0.0 112.151 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.438 ' N ' ' HD3' ' A' ' 68' ' ' LYS . . . -49.22 -43.68 33.71 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.422 -1.37 . . . . 0.0 110.12 176.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.505 ' CZ ' HD12 ' A' ' 67' ' ' LEU . 2.5 p90 -97.31 -47.83 5.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.224 0.535 . . . . 0.0 109.681 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 15' ' ' ILE . 7.7 m -71.07 -0.14 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.505 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.9 p -46.49 -25.25 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -96.76 27.66 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.229 0.538 . . . . 0.0 110.572 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -150.47 -79.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.269 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.404 ' NH1' ' OG ' ' A' ' 23' ' ' SER . 13.3 ptp180 -170.18 -158.59 0.17 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.04 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -111.7 -173.55 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.339 0.59 . . . . 0.0 112.106 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CB ' ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -117.79 84.65 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.966 -179.594 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.0 p -69.99 -173.72 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.74 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -48.63 29.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.288 0.566 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.8 ttmt -50.16 -52.98 30.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.235 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.4 mm-40 -71.02 -30.82 67.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.673 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 86' ' ' MET . 62.8 m -61.5 -48.73 79.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 15.7 mmtp -75.33 -28.48 59.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.145 177.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.456 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 86.8 m -87.51 -57.49 2.93 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.529 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 46.3 tp -81.66 -52.03 7.59 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.42 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 9.3 tpp -60.92 -51.47 69.13 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.304 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -54.63 -25.81 28.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.687 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' CA ' ' OE1' ' A' ' 108' ' ' GLU . . . -78.04 -59.37 2.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.235 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.434 ' CA ' HD22 ' A' ' 105' ' ' LEU . . . -50.25 -44.63 43.9 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.622 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.4 p30 -89.79 38.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.541 0.336 . . . . 0.0 110.239 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.418 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -30.05 -34.5 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.533 1.133 . . . . 0.0 113.451 -178.706 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.4 m-20 -54.71 -19.97 7.34 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.636 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.07 50.78 3.36 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 116.278 -0.419 . . . . 0.0 113.621 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -113.3 -10.59 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.8 0.3 . . . . 0.0 111.417 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.39 -14.47 28.76 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.57 -0.824 . . . . 0.0 114.436 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 80.7 mttt -121.58 142.55 50.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.823 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 97' ' ' ILE . 27.6 mt -105.48 140.46 23.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 47' ' ' PHE . . . -146.4 -171.78 16.1 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.956 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.404 HG11 ' CE ' ' A' ' 44' ' ' LYS . 24.4 t -48.28 -61.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 0.0 110.988 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.6 -51.24 67.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.235 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -29.24 69.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.953 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -54.63 -22.58 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -73.84 -42.77 60.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.069 0.461 . . . . 0.0 109.862 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.408 HG21 ' HB3' ' A' ' 91' ' ' LYS . 40.6 m -61.5 -42.13 98.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.571 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.499 HD11 ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -52.94 -28.26 22.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.559 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.3 t -68.84 -37.96 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.012 0.434 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.45 -22.92 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.883 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' OE1' ' CA ' ' A' ' 88' ' ' ALA . 12.5 mm-40 -64.96 -72.11 0.16 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.162 0.506 . . . . 0.0 111.354 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 3.3 t . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.441 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 3.6 mtm -67.36 63.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.668 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.401 HG21 ' HB3' ' A' ' 8' ' ' ALA . 60.9 m -100.33 -34.49 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.9 -22.63 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.403 HD13 ' CB ' ' A' ' 45' ' ' LYS . 24.8 mt -85.5 -64.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.154 0.502 . . . . 0.0 111.101 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -89.12 173.07 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.414 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 1.4 m -76.02 110.36 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.143 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' HG21 ' A' ' 3' ' ' THR . . . -57.25 -36.29 70.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.455 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.13 -44.83 71.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.429 ' OD1' ' CB ' ' A' ' 7' ' ' SER . 1.2 m-20 -62.19 -52.6 63.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 111.674 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.452 HG12 ' CG2' ' A' ' 33' ' ' VAL . 4.4 mt -55.5 -51.33 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -58.36 -49.38 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.406 . . . . 0.0 110.547 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 80.1 mttt -63.27 -50.05 71.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . . . -66.02 -51.84 54.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.979 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.527 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 8.2 mt -55.92 -35.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.669 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.07 -45.39 3.87 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.283 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -62.99 -20.98 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 11.3 m-85 -89.82 99.45 12.45 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 23' ' ' SER . 9.3 t -91.5 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -99.69 -56.58 2.35 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.391 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -42.53 -66.36 0.37 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 111.799 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' CE1' ' A' ' 26' ' ' HIS . 9.7 t70 -61.88 -19.63 62.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.452 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -67.63 -52.94 32.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.561 179.44 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 31.5 p90 -96.74 -11.17 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 38.0 t70 -164.03 95.73 0.78 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 61.6 m80 -71.35 -12.68 61.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.84 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' N ' HD13 ' A' ' 85' ' ' LEU . 1.2 mtpp -46.9 -54.1 10.73 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.273 -0.267 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.06 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CZ ' ' CG1' ' A' ' 15' ' ' ILE . 21.2 t80 -51.93 -33.29 36.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.819 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.523 ' CZ ' ' CD2' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.32 -33.58 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.841 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 21.1 mt-30 -84.0 -42.94 15.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.425 ' HE3' ' N ' ' A' ' 32' ' ' MET . 20.9 mmt -72.15 -33.43 67.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.567 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.486 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 13.2 p -66.04 -23.88 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.173 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.83 13.53 49.79 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 2.0 mt -63.81 -33.16 75.05 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.4 mtpp -90.01 -15.72 31.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.494 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -38.62 -35.54 0.2 Allowed 'General case' 0 C--N 1.34 0.185 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -121.31 -99.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -146.31 178.88 7.91 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.79 0.328 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -65.4 -28.85 69.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.183 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 3.0 p30 -63.92 -50.16 69.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 11.8 m-20 -55.37 -52.63 62.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.26 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 27.8 m -61.0 -35.42 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.366 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.0 ttpt -50.38 -29.68 10.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.415 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HE2' ' CA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -56.78 -50.76 71.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.426 -178.376 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.422 ' HB ' ' HG3' ' A' ' 2' ' ' MET . 2.0 p -55.12 -27.56 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.96 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.491 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 31.5 t80 -51.73 -49.27 62.87 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.482 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -67.62 -27.47 66.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.318 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -69.31 -49.36 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.47 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.6 pp -88.07 -26.42 22.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.914 -178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t70 -90.21 -2.76 58.08 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 49.5 pttt -47.06 -38.46 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 28.8 m-20 -110.23 26.27 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.409 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 71.8 mmtt -115.81 10.47 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.795 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.6 p 57.39 17.34 3.71 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.424 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . 101.29 -4.54 55.02 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.258 -0.973 . . . . 0.0 113.894 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 37.1 m-85 -138.88 133.11 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.31 0.555 . . . . 0.0 111.611 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' HD13 ' A' ' 50' ' ' LEU . 2.2 mt -103.0 129.79 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 63' ' ' LEU . 11.4 tt0 -103.35 145.89 29.29 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.834 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HA ' ' HG3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -45.2 -45.52 11.72 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.57 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.36 -51.23 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.076 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -78.06 -13.21 59.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -57.59 -42.93 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.306 -179.236 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.431 ' CA ' HD21 ' A' ' 77' ' ' LEU . . . -65.64 -25.48 71.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.69 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 m -81.94 -58.25 3.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.217 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.452 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.6 tp -61.85 -16.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.583 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -56.78 -32.11 65.32 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.458 0.646 . . . . 0.0 110.686 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.53 -21.76 1.06 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.957 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.61 -53.6 7.0 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.636 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.496 ' CE2' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -96.97 -41.61 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.51 178.37 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' ALA . 28.4 p -70.5 0.47 6.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.821 -1.081 . . . . 0.0 113.157 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.0 t -46.06 -25.76 0.63 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 122.083 -0.386 . . . . 0.0 111.071 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.408 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 7.7 t70 -90.7 -30.21 17.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.058 0.456 . . . . 0.0 110.141 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -91.73 -152.61 0.3 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.413 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 76' ' ' ASP . 55.7 mtp180 -91.99 -91.25 0.16 Allowed 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.324 -0.235 . . . . 0.0 111.411 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 1.4 p30 168.5 139.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 111.456 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -46.95 92.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.423 178.669 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.8 p -75.83 -171.96 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.43 24.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.094 0.473 . . . . 0.0 110.852 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 84' ' ' THR . 54.8 mtmt -50.62 -53.94 26.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.302 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.5 mm-40 -72.19 -26.64 62.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 60' ' ' GLU . 52.0 m -61.72 -52.29 64.88 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.211 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -77.76 -28.19 50.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.441 177.61 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.458 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 87.8 m -87.98 -57.33 2.97 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 81' ' ' GLU . 3.7 mm? -77.73 -49.24 14.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.454 ' HG3' ' HA ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -65.81 -50.9 62.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.388 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -60.66 -31.7 70.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.139 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -81.78 -59.18 2.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.726 0.298 . . . . 0.0 110.22 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' CA ' HD11 ' A' ' 105' ' ' LEU . . . -48.36 -35.39 14.99 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.446 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.4 p-10 -95.59 38.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.421 ' CG ' ' OE2' ' A' ' 108' ' ' GLU . 1.3 tmtm? -29.1 -35.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.543 1.137 . . . . 0.0 113.751 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' ASP . 18.1 t70 -55.34 -19.04 7.64 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.021 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 57.9 3.26 Favored Glycine 0 C--N 1.335 0.503 0 C-N-CA 121.544 -0.36 . . . . 0.0 113.281 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.6 -9.73 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 78.06 -4.5 57.94 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.326 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -140.43 147.27 39.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' ILE . 40.1 mt -104.97 113.53 42.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.961 0.41 . . . . 0.0 111.245 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.48 171.7 17.68 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.491 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 7.9 p -47.71 -39.33 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.66 -48.53 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -32.74 72.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.42 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -52.68 -30.45 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.0 t -69.97 -43.06 72.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.402 HG21 ' HB3' ' A' ' 91' ' ' LYS . 32.2 m -57.88 -36.66 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.073 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 11.0 tp -59.02 -36.52 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.16 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.94 -35.31 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.908 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.71 -37.71 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.668 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.445 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 15.9 mm-40 -49.87 -71.01 0.07 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 110.648 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 7.5 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.4 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.799 0.333 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.429 ' CE ' ' HG ' ' A' ' 6' ' ' LEU . 9.4 tpt 62.24 41.43 10.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.447 HG22 ' CB ' ' A' ' 8' ' ' ALA . 25.2 p -96.99 -21.48 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.494 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -69.56 -35.27 75.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.991 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 1.6 mm? -101.0 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' CB ' HD11 ' A' ' 11' ' ' ILE . 68.8 mt -74.41 137.88 42.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 2.0 p -54.47 110.3 0.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' CB ' HG22 ' A' ' 3' ' ' THR . . . -60.58 -41.7 95.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -64.76 -48.94 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.13 -53.22 59.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.418 0.628 . . . . 0.0 111.531 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.448 HD11 ' CB ' ' A' ' 6' ' ' LEU . 10.5 mt -55.76 -53.38 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.201 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.99 -33.37 71.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 16.2 mtpp -73.45 -52.53 13.35 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.386 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -34.29 75.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.732 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.562 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 10.7 mt -73.7 -41.89 54.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.475 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.68 -4.64 59.09 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.617 -0.801 . . . . 0.0 114.485 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -90.55 -50.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.909 0.855 . . . . 0.0 112.636 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -133.79 63.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.436 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.5 p -41.98 -37.53 1.37 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -46.7 -38.77 10.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.909 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . . . -51.73 -66.47 0.38 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.063 0.458 . . . . 0.0 109.837 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.49 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 14.4 t70 -59.76 -21.05 60.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.618 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 1.5 t -66.92 -58.28 5.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 36.0 p90 -95.79 -39.58 9.78 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.5 m-20 -148.34 98.74 2.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 111.47 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -70.07 -18.99 63.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.91 -52.11 15.25 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.099 -0.376 . . . . 0.0 110.15 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' CA ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -60.65 -46.8 88.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.136 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 1.6 t80 -55.36 -29.43 58.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.172 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.602 ' CD2' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -64.45 -27.4 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.82 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 48.2 mt-30 -83.16 -52.72 6.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.751 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.447 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 22.4 mtt -68.64 -29.37 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 111.238 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.561 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 11.3 p -65.86 -24.55 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 87.27 24.13 38.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.665 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 30' ' ' PHE . 3.9 mt -70.09 -27.97 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.155 0.503 . . . . 0.0 109.766 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -92.28 -6.8 49.67 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 178.674 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -44.05 -28.39 0.48 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -133.93 -100.99 0.25 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.489 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.2 m -146.22 179.18 7.68 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.799 0.333 . . . . 0.0 111.367 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 43' ' ' VAL . . . -62.7 -31.75 72.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.97 -36.94 85.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' CE ' ' A' ' 2' ' ' MET . 7.6 m-20 -69.81 -52.48 24.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.576 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.44 ' CG1' HD23 ' A' ' 6' ' ' LEU . 35.4 m -61.0 -36.12 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.7 mttm -52.01 -27.14 12.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.182 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' CG ' ' HG ' ' A' ' 5' ' ' LEU . 14.2 mptt -56.12 -29.37 60.59 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.048 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.06 -33.37 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.4 t80 -55.75 -33.84 64.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.058 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -72.32 -27.29 62.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 45' ' ' LYS . 23.4 mm -78.17 -49.36 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.2 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 66' ' ' ILE . 16.1 mt -79.07 -41.72 28.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.935 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.531 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . 12.1 t70 -106.73 47.75 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.98 -49.77 41.67 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.483 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.7 p30 -115.62 19.65 15.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -90.73 12.32 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m 66.19 34.86 6.4 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.03 3.84 57.38 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.375 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -139.9 134.32 31.45 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.757 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.453 ' HB ' ' CD2' ' A' ' 63' ' ' LEU . 10.8 mt -104.4 142.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.879 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.4 mt-10 -103.39 133.19 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.813 0.816 . . . . 0.0 111.805 -177.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 86' ' ' MET . 2.0 pt-20 -33.93 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.176 -1.375 . . . . 0.0 113.086 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.2 m-20 -70.1 -52.01 27.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -83.75 -17.65 40.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -51.55 -54.55 26.22 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.406 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.03 -19.69 70.17 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.239 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 33.8 t -87.95 -55.96 3.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.525 0.679 . . . . 0.0 109.898 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 50' ' ' LEU . 3.7 tp -64.3 -17.75 21.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.872 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.504 ' HG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -53.42 -22.87 8.44 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.263 0.554 . . . . 0.0 110.708 178.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 72' ' ' SER . 47.7 mtpt -49.31 -18.99 0.43 Allowed 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.995 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.437 ' HA3' HD21 ' A' ' 50' ' ' LEU . . . -41.58 -50.56 4.8 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.034 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.504 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.71 -53.3 3.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.641 0.734 . . . . 0.0 109.773 177.117 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 p -70.82 1.84 4.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.7 p -44.79 -23.9 0.17 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.369 0.531 . . . . 0.0 111.877 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -120.53 51.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.44 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -162.58 -91.45 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -150.38 -170.52 3.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.73 0.3 . . . . 0.0 111.304 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -128.14 150.12 50.12 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.119 0.485 . . . . 0.0 111.959 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -68.75 112.89 5.75 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.974 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' THR . 39.3 t -102.59 -165.21 1.16 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.738 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -52.21 20.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.498 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -53.19 -47.82 68.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.206 0.527 . . . . 0.0 110.097 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . 2.0 mm-40 -72.47 -24.93 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.669 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' SER . 36.3 m -61.95 -50.73 70.97 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 10.8 mtpp -76.92 -30.3 56.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.043 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 58.5 m -87.35 -56.6 3.29 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 81' ' ' GLU . 3.5 mm? -80.48 -53.15 6.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 60' ' ' GLU . 32.9 mtt -61.01 -50.95 71.3 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 119.131 -1.028 . . . . 0.0 110.183 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -58.17 -25.58 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.004 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.2 -65.45 1.01 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.004 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.481 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -52.37 -34.31 41.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.662 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' ASP . 39.2 t0 -95.19 38.22 1.14 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.051 -0.575 . . . . 0.0 110.973 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.505 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -31.16 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.518 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.9 t70 -56.34 -19.84 16.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.536 0.208 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.47 48.97 5.1 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.757 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -113.84 -10.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.105 0.453 . . . . 0.0 111.745 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.418 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 87.42 -25.07 8.51 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.394 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 73.9 mttt -115.2 144.53 43.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.409 0.284 . . . . 0.0 110.51 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.444 HG21 HD12 ' A' ' 97' ' ' ILE . 36.5 mt -105.0 111.76 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.345 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.61 -160.8 35.27 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.653 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.488 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 9.9 p -68.42 -37.91 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.751 0.31 . . . . 0.0 111.248 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -72.93 -53.49 11.16 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.375 0.607 . . . . 0.0 110.252 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.59 -38.04 66.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.399 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.11 -25.45 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 109.952 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.8 m -73.24 -45.49 55.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.327 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.505 HG21 ' CB ' ' A' ' 91' ' ' LYS . 89.0 m -57.63 -36.91 72.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 110.438 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.484 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -55.58 -37.4 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.36 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.96 -37.48 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.347 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.0 -27.95 39.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.389 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.83 -69.97 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.784 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.44 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.424 ' CB ' HG21 ' A' ' 49' ' ' ILE . 50.2 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.881 0.372 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.433 ' HE2' ' O ' ' A' ' 42' ' ' ASP . 9.7 tpt -74.96 64.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.538 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.412 HG21 ' HB1' ' A' ' 8' ' ' ALA . 92.8 m -116.54 -27.13 6.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.593 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.525 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 5.4 mp -109.92 -66.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.353 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' CB ' HD12 ' A' ' 11' ' ' ILE . 76.9 mt -73.98 137.42 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.344 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.7 m -64.2 111.11 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.841 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HB1' HG21 ' A' ' 3' ' ' THR . . . -52.58 -27.07 15.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.223 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HG3' ' HD3' ' A' ' 13' ' ' LYS . 4.3 tp10 -69.29 -48.73 60.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.508 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -53.28 60.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.521 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.439 HD12 ' CB ' ' A' ' 6' ' ' LEU . 25.7 mt -56.13 -53.25 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -59.62 -31.81 69.84 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.16 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 38.8 mtpt -70.94 -53.28 15.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.163 0.506 . . . . 0.0 110.763 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -69.35 -40.57 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.764 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.491 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 10.5 mm -55.77 -48.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.433 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.63 -38.99 4.53 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 115.345 0.898 . . . . 0.0 115.345 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -36.77 -43.02 0.41 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' CG ' ' CB ' ' A' ' 21' ' ' ALA . 6.2 p90 -118.12 146.91 43.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.368 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 m -93.47 -49.75 5.76 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -98.68 -13.1 20.44 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' CB ' ' CG ' ' A' ' 18' ' ' PHE . . . -46.7 -44.14 18.42 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.661 0.664 . . . . 0.0 111.474 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.52 ' CB ' ' CD2' ' A' ' 26' ' ' HIS . 7.2 p-10 -70.03 -33.01 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.2 t -69.96 -28.39 65.52 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.558 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 91.9 t80 -95.85 -55.77 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.421 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -162.65 104.81 1.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.217 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -66.23 -9.56 33.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.59 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 1.8 mptt -44.86 -56.28 4.67 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.32 0.581 . . . . 0.0 110.579 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.71 -48.95 79.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.428 179.034 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CD2' ' CD2' ' A' ' 26' ' ' HIS . 41.4 t80 -49.78 -39.1 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.008 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.503 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -57.93 -32.94 68.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.55 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 16.6 mt-30 -84.04 -39.57 19.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.7 mmm -71.93 -35.71 69.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 111.222 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.485 HG11 ' CD1' ' A' ' 35' ' ' LEU . 7.6 p -64.99 -24.58 35.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.74 22.65 42.05 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.944 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' HG11 ' A' ' 33' ' ' VAL . 1.5 mp -70.5 -34.69 72.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 4.3 mtpp -75.63 -10.81 59.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.891 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -45.15 -55.07 6.09 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.28 -172.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.814 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -72.2 171.69 11.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.147 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HA ' HG21 ' A' ' 43' ' ' VAL . . . -55.74 -26.88 47.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.85 -40.73 96.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.961 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' ' HE2' ' A' ' 2' ' ' MET . 16.0 t70 -65.01 -53.0 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 23.3 m -61.29 -35.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.391 0.615 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 50.4 tttm -50.46 -26.35 4.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.636 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 5.8 mptp? -58.72 -47.41 84.68 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.048 -0.407 . . . . 0.0 110.654 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.425 ' HB ' ' HG2' ' A' ' 2' ' ' MET . 5.7 p -61.92 -27.51 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 40.5 t80 -68.53 -32.75 72.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.586 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.29 -32.73 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.424 HG21 ' CB ' ' A' ' 1' ' ' SER . 6.2 mm -69.58 -49.3 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.955 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 3.9 pp -82.19 -43.71 17.33 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.543 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.525 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . 10.1 t70 -93.36 45.56 1.17 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.563 0.22 . . . . 0.0 111.52 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.15 -52.1 26.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.712 0.291 . . . . 0.0 111.296 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 4.5 p-10 -116.43 4.93 13.39 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.462 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 55' ' ' SER . 3.1 tppp? -61.47 -13.31 19.7 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 5.8 p 90.89 17.82 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.054 0.541 . . . . 0.0 112.417 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.65 -13.08 54.35 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.931 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.412 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 96.3 m-85 -130.88 125.91 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.281 0.541 . . . . 0.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.431 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 3.7 mt -104.78 136.83 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 121.321 0.582 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -102.44 122.73 44.89 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.84 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 0.0 OUTLIER -36.48 -33.44 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.015 -1.448 . . . . 0.0 112.574 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 6.6 m-20 -64.62 -50.22 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.431 . . . . 0.0 110.353 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 1.4 mp0 -89.0 -16.21 32.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.389 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.501 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.1 OUTLIER -54.24 -30.34 49.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.437 ' HA2' HD22 ' A' ' 77' ' ' LEU . . . -66.16 -25.96 72.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.554 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 t -84.16 -55.52 4.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.813 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 8.4 tp -59.72 -17.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.018 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.527 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -50.62 -25.01 3.7 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.981 0.419 . . . . 0.0 111.422 179.474 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.1 mttp -49.11 -20.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.244 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.05 -54.89 5.91 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.136 -1.03 . . . . 0.0 111.964 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.527 ' CE2' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.38 -39.9 8.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.864 0.84 . . . . 0.0 110.038 178.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 74' ' ' ALA . 25.0 p -77.51 2.75 15.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.167 -1.379 . . . . 0.0 113.18 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.2 t -45.3 -26.36 0.51 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.084 -0.385 . . . . 0.0 111.199 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -110.12 40.32 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.235 0.541 . . . . 0.0 109.85 178.178 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -169.43 -160.16 0.25 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.192 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -88.99 -151.47 0.22 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.008 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 8.8 m-20 -142.42 -179.75 6.47 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.262 0.553 . . . . 0.0 111.603 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD13 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -68.35 131.47 45.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.761 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.2 m -103.89 -172.81 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.05 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.94 -51.12 24.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 84' ' ' THR . 59.0 mttp -55.03 -50.53 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.412 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.5 mm-40 -66.2 -28.12 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.789 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 58.8 m -59.35 -53.09 62.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 30.5 mmmt -78.89 -29.72 44.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.138 177.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 59.3 m -87.51 -58.1 2.7 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.438 ' HG ' ' HB2' ' A' ' 26' ' ' HIS . 2.1 mm? -77.81 -49.92 13.35 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.501 ' CE ' ' CD2' ' A' ' 63' ' ' LEU . 2.0 mmm -73.12 -49.73 26.69 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.226 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -61.66 -35.42 77.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.16 -39.07 50.37 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.108 0.48 . . . . 0.0 110.17 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.518 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -67.17 -32.11 79.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.61 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 93' ' ' GLY . 7.5 p30 -93.76 37.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.595 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.5 tmtt? -33.61 -54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.75 37.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.004 0.43 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -128.67 -171.74 13.04 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.707 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -114.05 18.23 17.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 0.0 111.194 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.96 30.96 2.6 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.757 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -151.15 142.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -109.73 110.75 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.768 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.54 -154.5 29.67 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.415 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 11.6 p -67.76 -34.87 70.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.99 -54.07 8.7 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.367 0.604 . . . . 0.0 111.009 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -28.36 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.295 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 7.6 t80 -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.343 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 86.6 p -78.77 -34.71 45.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.681 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 91' ' ' LYS . 44.4 m -57.16 -50.2 73.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.85 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.518 ' HB2' ' CA ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -59.0 -24.99 63.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.646 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.415 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 57.9 t -61.06 -39.96 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 121.082 0.467 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.31 -25.85 55.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.309 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.92 -69.2 0.29 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.24 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.474 ' CG ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -103.37 68.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.399 . . . . 0.0 111.197 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -89.24 -25.66 21.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.39 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -68.22 -29.9 68.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.476 ' CD1' ' CD ' ' A' ' 45' ' ' LYS . 1.7 mm? -102.25 -67.47 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 6' ' ' LEU . 1.4 mt -75.72 156.99 34.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.312 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.431 ' CB ' ' OD1' ' A' ' 10' ' ' ASP . 5.4 m -67.74 111.28 4.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.943 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.19 -31.13 61.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.217 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 10.9 pt-20 -74.9 -48.79 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 1.1 m-20 -52.69 -52.65 55.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.362 0.601 . . . . 0.0 111.106 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.442 HG12 ' CG2' ' A' ' 33' ' ' VAL . 57.9 mt -59.87 -53.96 41.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.477 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -60.48 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 37.4 mttm -63.49 -52.35 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.867 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 32' ' ' MET . . . -62.63 -48.95 77.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.485 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 6.4 mt -54.07 -46.18 66.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.01 -4.01 60.26 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.791 -0.718 . . . . 0.0 114.052 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -76.73 -42.31 41.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.541 0.67 . . . . 0.0 112.074 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -146.73 140.28 25.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 p -87.46 -16.2 35.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB2' ' CD2' ' A' ' 18' ' ' PHE . . . -45.71 -28.65 1.06 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 29' ' ' PHE . . . -52.71 -64.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.229 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 3.5 p30 -78.32 -23.26 47.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.6 t -66.83 -66.02 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.479 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 10.7 p90 -97.35 -51.34 4.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' A' ' 24' ' ' PHE . 47.0 t0 -170.37 126.53 0.78 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 22' ' ' ASP . 89.1 m-70 -70.76 -10.38 59.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.777 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HG3' ' HA ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -46.61 -50.14 17.94 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 122.24 0.216 . . . . 0.0 111.329 -178.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HE3' ' NE2' ' A' ' 31' ' ' GLN . 4.9 mmpt? -65.34 -44.89 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 33.8 t80 -54.33 -31.2 53.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.224 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CE1' ' CD1' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -59.79 -30.99 69.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.175 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.521 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 28.5 mt-30 -83.87 -42.5 16.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.026 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.419 ' HG3' ' HA ' ' A' ' 29' ' ' PHE . 1.4 mtp -73.67 -33.19 64.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 30' ' ' PHE . 13.5 p -65.46 -24.96 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.919 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 10.94 45.58 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.374 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -65.45 -32.69 74.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 11.2 mtpp -83.88 10.35 9.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.279 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' HB3' ' NZ ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.32 -49.32 61.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.871 0.367 . . . . 0.0 110.524 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -136.65 -161.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.7 179.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.368 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HA ' HG21 ' A' ' 43' ' ' VAL . . . -67.23 -10.48 51.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.824 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.76 -43.25 99.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.16 -52.04 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 33.5 m -61.08 -39.43 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.512 . . . . 0.0 110.686 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 82.5 mttt -63.14 -32.47 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.287 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' CD ' ' CD1' ' A' ' 5' ' ' LEU . 50.4 mttm -67.7 -58.43 4.66 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 12.1 p -54.67 -27.97 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.996 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CD1' ' CE1' ' A' ' 102' ' ' PHE . 21.8 t80 -76.6 -32.52 58.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.682 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 44' ' ' LYS . 24.7 m80 -68.5 -36.52 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.075 0.464 . . . . 0.0 109.84 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.67 -50.32 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.904 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD1' ' CD1' ' A' ' 58' ' ' ILE . 4.2 pp -83.42 -31.81 26.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.89 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' OD2' ' CG1' ' A' ' 58' ' ' ILE . 18.1 t70 -87.78 13.46 10.59 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.33 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.64 0.257 . . . . 0.0 111.347 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -110.98 26.52 10.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.336 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 26.9 mmmt -114.0 1.37 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m 66.12 23.75 10.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.65 -10.14 75.55 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.587 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -134.73 127.7 31.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.532 . . . . 0.0 111.176 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.538 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 4.8 mt -111.74 145.36 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.217 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -100.51 122.08 42.62 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.017 0.913 . . . . 0.0 111.822 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 4.9 pt-20 -38.05 -33.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.741 -1.572 . . . . 0.0 112.229 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.4 m-20 -69.78 -52.63 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.95 0.405 . . . . 0.0 110.907 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.98 -19.2 54.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.082 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HG ' ' CE ' ' A' ' 86' ' ' MET . 0.1 OUTLIER -47.41 -46.31 26.13 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.43 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -53.29 -29.96 38.89 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.805 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 t -80.04 -58.73 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.18 0.514 . . . . 0.0 110.001 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG23 HG21 ' A' ' 58' ' ' ILE . 6.5 tp -58.84 -17.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.086 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.544 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 2.4 mt -45.48 -27.54 0.75 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.972 0.415 . . . . 0.0 111.56 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -47.49 -21.91 0.39 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.446 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.22 -57.87 4.08 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.294 -0.955 . . . . 0.0 111.206 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.88 -42.11 7.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 109.308 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 74' ' ' ALA . 5.0 m -69.53 1.81 3.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.252 -1.34 . . . . 0.0 114.087 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.1 t -44.62 -25.04 0.23 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.502 0.592 . . . . 0.0 110.85 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.23 -25.59 12.39 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.225 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -86.94 -162.36 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.678 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -99.21 -158.77 0.7 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.591 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.44 -179.79 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -109.79 124.62 51.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 109.997 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 82' ' ' THR . 27.8 m -95.86 -171.72 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.76 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.72 -51.04 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' THR . 83.5 mttt -50.44 -52.99 32.91 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -73.8 -29.17 62.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.772 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 77.1 m -61.34 -50.04 74.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 6.9 mmpt? -76.27 -31.23 58.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.042 -1.435 . . . . 0.0 111.166 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.8 m -89.1 -57.92 2.72 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 81' ' ' GLU . 45.2 tp -73.24 -48.77 32.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.458 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 1.9 tpp -74.53 -51.29 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.016 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -53.66 -34.36 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.009 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.3 -52.4 16.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.46 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -57.46 -38.86 89.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.233 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.0 p30 -95.31 37.38 1.18 Allowed 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.4 tmtt? -29.93 -36.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.46 1.104 . . . . 0.0 113.698 -178.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASP . 20.0 t70 -55.41 -19.52 9.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.979 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.88 49.91 3.9 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 121.509 -0.377 . . . . 0.0 113.5 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.419 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 6.0 m-20 -113.29 -4.05 13.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.581 0.229 . . . . 0.0 111.293 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 96' ' ' LYS . . . 64.2 12.27 49.46 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.08 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -146.59 142.15 27.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 90' ' ' ASP . 26.4 mt -111.23 112.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.656 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.01 -166.35 37.09 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.413 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 14.7 p -61.36 -32.58 53.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.186 0.493 . . . . 0.0 110.66 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.413 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -74.27 -54.35 7.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.282 0.563 . . . . 0.0 110.97 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.21 -37.82 75.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.634 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 2.6 t80 -52.04 -25.07 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.496 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.8 p -78.0 -42.43 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.403 HG21 ' HB3' ' A' ' 91' ' ' LYS . 24.0 m -55.43 -42.27 73.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.476 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.527 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 1.7 tt -54.63 -39.2 67.73 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -55.89 -33.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.771 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.25 -34.69 55.78 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.968 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mm-40 -66.83 -64.49 0.84 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.447 0.642 . . . . 0.0 110.126 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.541 ' HA ' ' HG3' ' A' ' 27' ' ' LYS . 68.7 p . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.877 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 2' ' ' MET . 45.8 t . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.682 0.277 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.401 ' HG3' HG22 ' A' ' 46' ' ' VAL . 15.4 tmm? 74.77 -57.88 0.6 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.034 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 p -69.92 -25.48 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.395 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.14 -30.55 27.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.024 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 42' ' ' ASP . 5.2 mp -97.8 -61.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mt -74.29 137.5 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.798 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.406 ' HB2' ' HB2' ' A' ' 10' ' ' ASP . 1.5 m -55.24 110.19 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.15 70.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.069 0.461 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 12.3 pt-20 -71.6 -46.83 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.714 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 63.0 m-20 -60.74 -52.85 63.34 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 111.357 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 33' ' ' VAL . 5.9 mt -56.59 -45.97 82.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.989 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -59.83 -51.81 68.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 18.8 mttm -72.0 -51.66 20.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.499 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . . . -54.62 -37.9 66.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.757 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.535 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 7.4 mt -70.49 -56.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.59 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.13 -49.21 5.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.503 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -40.32 -51.47 2.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.131 0.465 . . . . 0.0 112.009 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 14' ' ' ALA . 20.9 p90 -130.11 111.0 12.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.108 0.48 . . . . 0.0 111.448 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 20' ' ' ALA . 9.0 t -90.89 -46.15 8.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.656 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.71 -51.24 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.348 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 24' ' ' PHE . . . -44.67 -65.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.583 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.8 p-10 -69.81 -34.19 73.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.507 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.427 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.4 t -51.85 -40.44 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.354 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 1.3 p90 -95.5 -24.87 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.444 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -166.91 98.78 0.54 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.278 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -68.96 -17.74 63.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 23.5 mmmt -47.68 -50.22 25.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -60.55 -45.22 94.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.535 ' CZ ' ' CG1' ' A' ' 15' ' ' ILE . 46.8 t80 -57.09 -36.43 70.59 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.554 178.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -53.0 -30.8 37.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.831 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.44 ' HA ' ' CE ' ' A' ' 36' ' ' LYS . 36.5 mt-30 -84.35 -41.7 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.478 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 29' ' ' PHE . 10.3 mmm -72.07 -36.43 69.55 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.411 0.624 . . . . 0.0 111.028 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 29' ' ' PHE . 11.2 p -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.47 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.95 28.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.416 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.494 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -76.09 -30.08 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.267 179.413 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' CE ' ' HA ' ' A' ' 31' ' ' GLN . 3.5 mtmp? -82.09 -17.15 47.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.426 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -42.06 -29.21 0.22 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' CD ' ' OD2' ' A' ' 42' ' ' ASP . 53.7 mttm -132.57 -168.89 2.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.2 t -78.12 167.64 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.49 -21.3 36.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.38 -32.8 73.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 5' ' ' LEU . 5.1 m-20 -73.08 -52.27 14.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 46' ' ' VAL . 17.0 m -52.74 -35.79 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.32 0.581 . . . . 0.0 110.053 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 44.1 mtpt -50.01 -27.31 5.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -56.78 -48.43 77.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.024 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 43' ' ' VAL . 6.7 p -59.11 -26.99 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.08 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.443 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.0 t80 -46.96 -43.18 18.97 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.365 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 60.5 m-70 -75.46 -35.89 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.708 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.442 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 44.1 mm -58.91 -50.41 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.386 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 4.0 pp -80.46 -41.46 24.37 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -114.13 97.54 6.42 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 21.0 ptmt -69.39 -48.72 60.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.159 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 6.4 m-20 -67.75 -20.6 65.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.692 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 87.7 tttt 82.19 -35.84 0.1 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.161 0.584 . . . . 0.0 109.571 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 53' ' ' ASP . 47.5 t 63.46 -53.62 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.032 0.933 . . . . 0.0 113.232 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.07 -15.95 54.48 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -178.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.9 m-85 -165.83 126.61 1.82 Allowed 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.429 ' CG2' HD23 ' A' ' 63' ' ' LEU . 8.6 mt -103.83 142.12 18.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.333 0.587 . . . . 0.0 110.104 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -101.89 116.8 33.49 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.767 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' CB ' ' HG3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -39.26 -32.41 0.11 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.892 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.05 -52.32 36.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.045 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.5 -16.67 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.678 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD23 ' CG2' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.6 -37.63 65.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.957 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.479 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -61.85 -21.89 61.55 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.879 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -81.25 -62.53 1.63 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 10.3 tp -62.94 -19.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.518 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.528 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -46.29 -34.6 4.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 72' ' ' SER . 78.5 mttt -49.8 -23.01 1.62 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.775 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.79 -53.12 5.4 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.878 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CE2' ' CD1' ' A' ' 67' ' ' LEU . 2.4 p90 -98.02 -45.37 6.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.229 0.537 . . . . 0.0 110.408 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -73.01 0.88 10.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 4.5 t -46.78 -23.43 0.43 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.052 -0.405 . . . . 0.0 111.847 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.421 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.7 m-20 -94.15 -12.02 29.22 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . . . -113.49 -93.36 0.47 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 13.3 ptt180 -155.31 -156.5 0.66 Allowed 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.476 -0.14 . . . . 0.0 110.777 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.0 m-20 -124.0 144.75 49.64 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.479 HD21 ' N ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER -47.09 121.29 3.62 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 178.177 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -101.08 -177.9 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.638 0.256 . . . . 0.0 110.925 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.89 25.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.189 0.519 . . . . 0.0 110.624 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.8 ttmt -52.96 -51.67 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.595 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . 32.2 mt-10 -66.16 -25.29 66.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.461 ' HA ' HD11 ' A' ' 77' ' ' LEU . 8.4 m -63.29 -51.31 66.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -77.02 -30.24 55.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.874 177.41 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 80' ' ' LYS . 49.5 m -88.57 -57.84 2.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -81.35 -52.36 7.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.438 ' CE ' HD12 ' A' ' 85' ' ' LEU . 6.0 mmt -63.19 -51.11 67.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.304 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -56.95 -24.82 55.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.637 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.415 ' CA ' ' OE1' ' A' ' 108' ' ' GLU . . . -76.07 -65.52 0.9 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.917 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' CA ' HD22 ' A' ' 105' ' ' LEU . . . -46.96 -36.15 8.55 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.536 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.9 p30 -95.72 37.79 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.116 -0.542 . . . . 0.0 109.932 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -29.16 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.393 1.077 . . . . 0.0 113.801 -178.251 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.5 m-20 -54.38 -20.18 6.89 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.721 0.296 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.56 50.1 3.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.75 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -110.74 -8.25 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.585 0.231 . . . . 0.0 111.083 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' A' ' 96' ' ' LYS . . . 67.99 19.52 71.86 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.581 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 13.0 mmtp -148.11 141.42 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.443 HG22 HD12 ' A' ' 97' ' ' ILE . 30.4 mt -116.81 113.21 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.072 0.463 . . . . 0.0 111.583 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.38 -170.42 18.23 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.614 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.427 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 14.2 p -56.21 -27.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.62 -54.32 8.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.377 0.608 . . . . 0.0 110.616 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -61.17 -27.26 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.04 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.466 ' HA ' ' CG ' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -51.72 -24.81 6.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.6 p -77.33 -42.06 38.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.413 HG21 ' HB3' ' A' ' 91' ' ' LYS . 21.0 m -62.51 -43.03 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.464 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -52.19 -27.02 13.06 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.418 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.63 -36.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.978 0.418 . . . . 0.0 110.141 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.26 -26.22 39.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.437 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.42 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 9.3 mm-40 -63.21 -67.91 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.884 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.444 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 64.2 p . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.363 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.462 ' CG ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -105.31 49.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.267 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 m -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -107.02 -64.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 111.598 -179.084 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.46 HD23 ' CG1' ' A' ' 43' ' ' VAL . 31.6 mt -77.9 146.79 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.377 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.6 m -59.59 115.03 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.504 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.56 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.438 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.79 -45.47 64.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.4 m-20 -50.45 -52.1 41.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CG2' HD11 ' A' ' 15' ' ' ILE . 13.8 mt -60.81 -53.99 41.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.483 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -61.66 -44.28 97.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 110.211 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 18.2 mtpp -65.11 -50.71 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.552 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 10' ' ' ASP . . . -65.68 -48.82 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.926 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.525 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 7.6 mt -54.0 -45.21 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.953 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.15 -4.71 59.77 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.539 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -64.84 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.142 0.471 . . . . 0.0 111.747 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 21' ' ' ALA . 2.1 p90 -142.65 150.26 39.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 111.262 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -84.72 -26.54 27.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.605 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' HB1' ' CE2' ' A' ' 18' ' ' PHE . . . -46.78 -26.7 1.01 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.723 0.297 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . . . -53.34 -57.95 8.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 110.227 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 16.4 m-20 -88.02 -17.11 31.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.406 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.447 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 40.5 t -89.24 -56.3 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 69.6 t80 -95.01 -65.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' OD2' ' CG2' ' A' ' 84' ' ' THR . 60.3 t0 -161.38 127.49 3.8 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 52.6 m-70 -71.77 -12.38 61.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.527 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HE2' ' N ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -47.64 -54.49 11.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 110.343 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.08 -47.57 85.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 28.0 t80 -51.69 -32.45 29.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.037 178.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.96 -29.47 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.674 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.513 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.0 mt-30 -84.08 -42.69 15.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.698 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.412 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 9.0 mtp -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.221 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.452 HG13 ' HA ' ' A' ' 30' ' ' PHE . 12.4 p -66.28 -24.72 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.91 19.84 35.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.822 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 1.5 mt -70.0 -32.44 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.2 mtpp -82.11 -15.26 54.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.403 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -46.5 -37.34 7.73 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -123.89 -175.23 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.236 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 m -70.74 172.24 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.753 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.74 -17.33 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 2.5 m-20 -74.67 -35.47 62.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.69 -51.85 44.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.056 0.455 . . . . 0.0 109.78 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.46 ' CG1' HD23 ' A' ' 6' ' ' LEU . 29.9 m -60.16 -36.85 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 109.75 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 26.9 mtpt -50.81 -26.92 6.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.437 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HG2' HD21 ' A' ' 5' ' ' LEU . 5.6 mptp? -56.96 -48.62 77.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.732 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.462 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 3.9 p -56.81 -27.36 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.475 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 15.3 t80 -46.4 -48.7 18.65 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.935 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.412 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 36.8 mm -60.95 -49.43 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.491 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' CD1' ' CD1' ' A' ' 58' ' ' ILE . 4.2 pp -84.71 -30.99 24.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.775 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.2 t70 -93.47 44.68 1.14 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 111.386 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 20.4 ptmt -70.41 -51.05 32.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.057 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.6 t70 -115.91 2.81 13.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.41 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 70.8 mmtt -68.69 -12.17 61.09 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t 76.39 43.45 0.15 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . 79.62 -3.08 70.09 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.658 -0.782 . . . . 0.0 114.285 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.421 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 89.3 m-85 -151.66 143.47 23.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.285 0.543 . . . . 0.0 110.826 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -103.87 139.96 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.129 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -102.36 119.79 39.41 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.105 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 2.1 pt-20 -37.71 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.42 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 23.1 t70 -69.58 -52.86 22.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.4 . . . . 0.0 110.93 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 65' ' ' SER . 8.5 tp10 -84.03 -16.27 44.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.056 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.2 OUTLIER -50.45 -45.47 56.06 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.642 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.46 55.99 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.037 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 35.3 t -84.55 -59.47 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.732 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.441 HG23 ' CG2' ' A' ' 58' ' ' ILE . 10.4 tp -59.71 -16.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.659 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -45.36 -28.37 0.84 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.249 0.547 . . . . 0.0 110.8 178.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.48 -19.9 0.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.252 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.21 -53.76 7.59 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.492 ' CE2' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -97.52 -43.68 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.054 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 15' ' ' ILE . 19.5 m -68.26 3.36 1.72 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 113.805 -1.543 . . . . 0.0 113.977 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.5 t -44.97 -25.16 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.619 -0.675 . . . . 0.0 111.024 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.04 35.39 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 109.996 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.442 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -141.54 -156.94 0.72 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.078 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -102.95 -88.05 0.41 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.506 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 2.7 p30 175.65 167.24 0.37 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.064 0.459 . . . . 0.0 112.135 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -89.5 95.26 10.19 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.963 0.887 . . . . 0.0 109.938 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 42.0 t -68.88 -171.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.61 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -50.13 27.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' THR . 25.8 mtpp -49.81 -54.36 19.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.2 mp0 -69.36 -27.67 65.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.455 ' HA ' ' HG2' ' A' ' 86' ' ' MET . 70.2 m -60.18 -52.41 65.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 14.5 mmmm -78.02 -31.02 50.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.245 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 62.5 m -88.17 -57.42 2.93 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -74.75 -50.47 17.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -176.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.499 ' CE ' ' CD2' ' A' ' 63' ' ' LEU . 1.6 mmm -74.27 -51.44 15.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.938 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -58.34 -31.97 68.08 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.38 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -78.66 -46.09 19.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.527 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -59.08 -35.07 82.33 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.288 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.4 p30 -94.49 38.64 1.1 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.905 -0.647 . . . . 0.0 109.375 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -28.32 -35.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.539 1.136 . . . . 0.0 113.835 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ASP . 6.5 m-20 -55.31 -19.81 9.69 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.729 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.93 51.1 3.69 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.199 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -113.43 -10.0 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.35 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.79 -4.28 45.68 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.551 -0.833 . . . . 0.0 114.003 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 58.0 mttt -132.76 142.96 49.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.616 0.246 . . . . 0.0 110.804 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.42 HD13 ' CE ' ' A' ' 86' ' ' MET . 20.4 mt -104.27 112.51 38.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.07 0.462 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.56 175.87 22.84 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.461 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 13.7 p -47.18 -37.05 4.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.43 -51.68 19.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.829 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 0.4 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.676 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -52.31 -31.22 32.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.002 0.43 . . . . 0.0 110.13 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -79.19 -33.08 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.64 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.406 HG21 ' HB3' ' A' ' 91' ' ' LYS . 31.1 m -58.94 -45.63 89.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.434 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.527 ' HB2' ' CA ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -60.47 -23.95 64.87 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.815 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.65 -36.43 76.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.142 0.496 . . . . 0.0 109.967 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.96 -27.96 35.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.832 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.83 -67.08 0.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.323 0.582 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.46 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.359 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.855 0.36 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.435 ' CE ' HG23 ' A' ' 49' ' ' ILE . 24.7 mtm 60.51 17.32 7.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.1 p -83.74 -46.3 12.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.41 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . 15.3 m-20 -88.79 -33.91 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.436 HD13 ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -74.7 -57.66 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.408 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD1' ' HB ' ' A' ' 46' ' ' VAL . 33.4 mt -102.03 158.84 15.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.396 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -83.03 110.19 17.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.81 95.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.364 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.75 -32.09 73.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB2' ' CB ' ' A' ' 7' ' ' SER . 1.9 m-20 -73.93 -50.36 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.875 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 33' ' ' VAL . 56.2 mt -56.18 -38.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.775 0.321 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.34 -51.41 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' ALA . 42.5 mtpt -66.25 -49.54 66.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.342 0.591 . . . . 0.0 110.754 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.79 91.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.314 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.538 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 14.7 mt -68.85 -35.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.673 0.273 . . . . 0.0 111.734 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.78 -17.21 49.3 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.398 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -75.97 -27.15 57.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CG ' ' CB ' ' A' ' 22' ' ' ASP . 21.0 m-30 -104.97 75.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -92.38 -39.03 11.68 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.84 -61.74 1.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CE2' ' A' ' 24' ' ' PHE . . . -95.93 -68.02 0.82 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.515 ' CB ' ' CG ' ' A' ' 18' ' ' PHE . 8.4 m-20 -55.57 -20.79 14.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 75' ' ' ARG . 32.1 t -42.61 -33.42 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.403 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 21' ' ' ALA . 26.4 p90 -94.67 -42.93 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.469 ' OD2' ' CE1' ' A' ' 24' ' ' PHE . 69.2 m-20 -66.22 82.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.267 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 96.4 m-70 -70.47 -23.48 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.73 -61.05 2.14 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.317 -0.239 . . . . 0.0 111.059 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' CE ' ' HA ' ' A' ' 28' ' ' LYS . 1.7 tpmt? -59.07 -44.74 91.9 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.538 ' CZ ' ' CG1' ' A' ' 15' ' ' ILE . 46.2 t80 -53.72 -36.63 62.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.779 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.62 -31.11 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.396 0.617 . . . . 0.0 109.907 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 19.0 mt-30 -84.16 -43.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mmm -72.25 -34.81 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.088 0.471 . . . . 0.0 111.644 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.493 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 10.5 p -66.64 -24.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.097 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.7 10.82 55.01 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.147 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD11 ' CE2' ' A' ' 30' ' ' PHE . 2.7 mt -61.83 -34.16 75.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mtpp -86.82 9.77 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.617 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -49.21 -69.98 0.1 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.51 -178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 4' ' ' ASP . 56.8 mttt -101.36 -89.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -145.44 -177.75 5.72 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.858 0.361 . . . . 0.0 111.353 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' O ' HG21 ' A' ' 43' ' ' VAL . . . -54.43 -18.5 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.928 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.62 -46.5 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 111.214 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -52.81 58.48 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 31.5 m -55.45 -36.01 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -62.32 -33.12 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.436 ' CB ' HD13 ' A' ' 5' ' ' LEU . 13.3 mptt -68.5 -57.8 5.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 4.7 p -52.08 -27.41 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.194 0.521 . . . . 0.0 110.025 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 5.3 t80 -59.41 -51.81 68.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.894 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' LYS . 89.3 m-70 -64.86 -35.61 81.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.538 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.435 HG23 ' CE ' ' A' ' 2' ' ' MET . 50.6 mm -51.68 -49.82 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.474 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 51' ' ' ASP . 3.5 pp -83.13 -23.51 32.98 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.268 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.45 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 4.8 t0 -158.46 78.98 0.8 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.677 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -73.59 -37.64 65.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.805 179.579 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.8 t70 -94.51 24.24 4.7 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.405 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -57.85 -18.04 20.0 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.417 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m 70.68 24.85 4.22 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.749 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 100.38 -13.3 59.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.933 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.5 m-85 -161.7 139.15 8.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 117.464 0.632 . . . . 0.0 112.299 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.537 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 3.8 mt -104.56 146.79 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.776 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.38 122.67 42.82 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.975 0.893 . . . . 0.0 111.848 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 6.5 pt-20 -43.83 -30.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.586 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.48 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.3 m-20 -68.64 -51.38 42.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.683 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.31 -22.41 41.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -48.37 -48.36 36.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.29 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -57.31 -23.37 47.72 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.078 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.525 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 38.4 t -83.18 -62.76 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 tp -56.1 -17.5 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.489 HD12 ' CE2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -45.98 -48.03 16.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.57 -15.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.07 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.81 -50.73 25.63 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.66 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.489 ' CE2' HD12 ' A' ' 67' ' ' LEU . 3.8 p90 -97.9 -44.84 6.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 109.139 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' ALA . 88.8 p -72.07 2.3 5.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.331 -1.304 . . . . 0.0 113.241 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.3 p -45.77 -25.91 0.57 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.971 -0.455 . . . . 0.0 111.178 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.427 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 2.6 m-20 -92.18 -28.11 17.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 110.041 178.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -86.91 -150.89 0.16 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.144 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' CG ' ' OG ' ' A' ' 23' ' ' SER . 79.0 mtp180 -101.37 -85.98 0.42 Allowed 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -178.14 -171.35 0.27 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.311 0.577 . . . . 0.0 111.856 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.475 ' HB3' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -119.26 72.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.715 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.0 m -62.35 -174.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.6 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -47.28 27.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.688 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' THR . 65.3 mttm -49.65 -53.68 22.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LEU . 6.4 mm-40 -75.22 -27.23 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.444 ' HA ' ' HG2' ' A' ' 86' ' ' MET . 89.6 m -61.53 -50.26 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.443 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 4.9 mmpt? -77.3 -30.65 54.29 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.26 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 97.8 m -87.5 -56.77 3.21 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' GLU . 10.1 tp -79.93 -52.98 7.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.444 ' HG2' ' HA ' ' A' ' 82' ' ' THR . 30.3 mmm -63.53 -51.16 66.67 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.219 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.95 -25.27 11.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 0.0 110.328 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.37 -63.19 1.43 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.455 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -50.64 -32.86 25.37 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.986 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.3 p30 -95.32 38.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.08 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -28.63 -35.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.191 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -55.07 -19.82 8.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.702 0.287 . . . . 0.0 110.961 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.63 39.41 7.68 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.478 -0.391 . . . . 0.0 113.732 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.88 -8.16 22.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.612 0.244 . . . . 0.0 111.122 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 65.83 25.42 71.84 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.874 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -155.01 142.77 19.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.424 HD13 ' CE ' ' A' ' 86' ' ' MET . 30.4 mt -117.21 136.37 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 111.525 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 102' ' ' PHE . . . -120.9 -155.74 9.63 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.8 p -68.54 -33.02 57.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 117.473 0.637 . . . . 0.0 110.965 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -55.26 6.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.044 0.45 . . . . 0.0 111.521 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -33.6 74.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.526 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t80 -52.72 -26.46 14.09 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.041 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.7 t -78.22 -41.66 33.71 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 61.8 m -56.98 -37.9 72.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.898 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.525 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -61.42 -36.61 80.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.161 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 68.1 t -58.02 -33.28 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.053 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.5 -28.45 37.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.072 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.69 -67.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.767 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.7 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.437 ' HB2' ' CG2' ' A' ' 46' ' ' VAL . 11.1 tpt -97.54 24.23 6.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -83.03 -16.38 47.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.679 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.36 -36.1 13.35 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.12 0.486 . . . . 0.0 110.8 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.439 ' CD1' ' HD2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -81.77 -56.37 4.03 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.44 -178.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 2' ' ' MET . 72.4 mt -74.09 152.4 39.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p -50.02 110.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.38 84.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.04 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 10.4 pt-20 -68.18 -46.39 70.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.901 0.381 . . . . 0.0 110.586 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.9 m-20 -50.72 -53.77 28.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 0.0 111.637 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.443 HG12 ' CG2' ' A' ' 33' ' ' VAL . 32.5 mt -62.77 -54.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.287 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.34 -47.05 87.7 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.228 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 21.9 mtpp -63.53 -52.55 60.7 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.676 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 10' ' ' ASP . . . -62.16 -44.28 96.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.492 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.451 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 7.7 mm -54.01 -51.17 48.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.037 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.02 -4.46 58.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.531 -0.842 . . . . 0.0 114.502 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -66.15 -52.53 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.526 0.663 . . . . 0.0 112.347 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -144.0 113.44 7.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.072 0.939 . . . . 0.0 113.031 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.439 ' CG2' ' HD3' ' A' ' 75' ' ' ARG . 88.2 m -73.21 -47.08 46.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.475 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.66 -34.93 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HB1' ' CE2' ' A' ' 18' ' ' PHE . . . -64.96 -65.62 0.65 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.02 0.438 . . . . 0.0 110.41 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 3.8 m-20 -58.78 -28.6 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -73.25 -37.7 66.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.864 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -95.1 -65.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.327 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 45.7 t0 -142.2 121.67 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.367 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.411 ' HB2' HD21 ' A' ' 85' ' ' LEU . 57.4 m80 -70.26 -8.58 51.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.115 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -45.7 -60.82 2.0 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.507 0.67 . . . . 0.0 110.556 179.014 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -60.16 -48.74 80.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.805 -1.088 . . . . 0.0 110.188 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CE2' ' CE1' ' A' ' 70' ' ' PHE . 80.7 t80 -53.73 -38.74 64.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.085 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE1' HD11 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -52.92 -31.78 41.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 0.0 110.286 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.491 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 17.1 mt-30 -84.09 -42.69 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.426 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 11.7 mmm -72.3 -35.19 68.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 111.193 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' HA ' ' A' ' 30' ' ' PHE . 7.3 p -65.64 -23.4 32.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.613 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.18 55.0 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.171 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.484 HD11 ' CE1' ' A' ' 30' ' ' PHE . 2.6 mt -64.59 -34.6 78.64 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.8 mtpp -78.83 -21.95 46.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.028 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.44 -56.13 12.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.304 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 9.8 mmpt? -91.42 166.63 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.619 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -68.65 158.29 34.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.682 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.12 -25.64 13.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.66 -41.68 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' CE ' ' A' ' 2' ' ' MET . 2.6 m-20 -66.45 -53.45 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 46' ' ' VAL . 35.7 m -54.99 -39.48 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -50.57 -31.68 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD2' ' CD1' ' A' ' 5' ' ' LEU . 89.5 mttt -59.8 -49.86 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.646 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 1.5 p -56.7 -27.35 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 23.8 t80 -53.58 -47.85 69.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.466 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . 28.0 t60 -71.99 -36.53 69.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 48.2 mm -51.57 -49.43 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.9 pp -89.18 -35.07 16.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.171 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.474 ' OD2' ' CE2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -101.81 68.73 1.16 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.538 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -75.22 -45.16 42.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.953 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 21.9 t70 -114.9 22.31 13.56 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' CD ' ' OD2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -49.7 -27.86 5.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.118 0.485 . . . . 0.0 110.432 179.457 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 15.8 m 77.42 38.93 0.2 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.036 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 93.24 -14.78 64.47 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.32 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 95.6 m-85 -164.36 145.13 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.191 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.514 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 2.3 mt -103.31 143.19 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.58 118.7 37.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.605 0.717 . . . . 0.0 111.714 -177.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -39.44 -30.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.356 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.0 -51.57 66.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.96 0.409 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.82 -16.14 27.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.041 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -52.46 -40.26 62.07 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.478 0.656 . . . . 0.0 109.498 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -60.16 -16.73 42.66 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.347 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -87.67 -55.81 3.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.624 . . . . 0.0 109.734 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' A' ' 50' ' ' LEU . 3.7 tp -65.88 -16.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.584 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 1.2 mm? -59.82 -21.97 61.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.006 0.431 . . . . 0.0 110.909 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' SER . 45.7 mtpt -51.5 -19.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.848 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.27 -49.98 10.07 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.62 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 71' ' ' SER . 1.2 p90 -95.67 -45.21 7.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 109.576 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.593 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.3 p -70.21 2.96 3.16 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.222 -1.354 . . . . 0.0 114.29 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' LYS . 47.6 t -45.0 -24.41 0.22 Allowed 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.843 -0.536 . . . . 0.0 111.374 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.433 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 19.4 t70 -125.92 22.26 7.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.921 178.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB2' HG22 ' A' ' 15' ' ' ILE . . . -133.5 -136.42 0.17 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.641 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HD3' ' CG2' ' A' ' 19' ' ' THR . 18.6 mmm180 -108.94 165.4 11.61 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 121.114 0.483 . . . . 0.0 111.143 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' SER . 3.9 p30 -107.77 121.21 44.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.411 0.624 . . . . 0.0 112.203 -178.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -41.54 93.93 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.532 177.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' THR . 15.4 m -98.17 -164.25 1.12 Allowed 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.994 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.82 -51.84 21.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 84' ' ' THR . 67.5 mttm -52.54 -54.4 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 111.023 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.5 mp0 -72.36 -24.43 61.28 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.846 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.437 ' HA ' HD21 ' A' ' 77' ' ' LEU . 28.7 m -62.81 -50.36 71.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 24.9 mmtt -76.71 -33.05 58.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.151 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' LYS . 47.7 m -87.73 -57.56 2.9 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' GLU . 20.2 tp -80.58 -52.77 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.434 ' CG ' ' HA ' ' A' ' 82' ' ' THR . 2.9 mmt -63.02 -53.2 57.65 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.635 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -56.99 -23.83 48.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.558 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.451 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . . . -87.49 -58.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.45 ' CA ' HD22 ' A' ' 105' ' ' LEU . . . -47.22 -41.56 15.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.742 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 92' ' ' ASP . 4.1 p30 -92.77 39.69 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.46 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -31.05 -26.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' ASP . 4.5 p30 -55.17 -22.21 16.46 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.904 0.774 . . . . 0.0 109.388 177.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.14 47.71 3.77 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.825 -0.625 . . . . 0.0 114.089 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -113.59 -10.32 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.83 0.315 . . . . 0.0 111.244 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.13 -11.57 35.61 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.469 -0.872 . . . . 0.0 113.735 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 67.3 mttt -120.74 147.37 45.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.776 0.322 . . . . 0.0 111.048 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.478 HG21 HD12 ' A' ' 97' ' ' ILE . 17.1 mt -104.53 123.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.492 . . . . 0.0 110.695 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.8 161.38 12.73 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.428 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 13.1 p -47.68 -27.63 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.105 0.452 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.13 -53.81 10.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.73 -24.34 64.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.777 -179.217 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.492 ' HA ' ' CG ' ' A' ' 105' ' ' LEU . 5.2 t80 -51.89 -23.41 4.84 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.768 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.5 p -78.46 -40.44 35.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.46 HG21 ' CG ' ' A' ' 91' ' ' LYS . 3.0 m -63.22 -27.09 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.76 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.492 ' CG ' ' HA ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -61.38 -35.02 76.32 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.52 -32.08 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.241 0.544 . . . . 0.0 109.609 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.86 -24.77 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.228 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.85 -71.88 0.25 Allowed 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.718 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.437 ' CG ' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.92 57.37 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.935 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.9 m -111.81 -46.26 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.203 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.1 -26.18 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -90.45 -30.62 17.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.446 HD23 ' CG1' ' A' ' 43' ' ' VAL . 60.5 mt -131.16 148.52 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.456 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -58.56 110.82 1.06 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.987 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.81 -41.75 87.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.988 0.423 . . . . 0.0 110.69 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -55.96 -53.31 58.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.731 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.449 HG12 ' CG2' ' A' ' 33' ' ' VAL . 11.0 mt -59.61 -50.71 78.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -59.46 -46.9 87.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 35.7 mtpt -63.61 -50.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.64 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 18' ' ' PHE . . . -64.68 -54.29 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.884 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 73' ' ' ASP . 7.3 mt -54.87 -35.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.228 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.04 -59.89 1.04 Allowed Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.449 -0.881 . . . . 0.0 114.16 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -38.41 -53.0 1.55 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 14' ' ' ALA . 37.7 p90 -136.25 112.49 9.8 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.026 0.441 . . . . 0.0 111.949 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -90.31 -27.6 19.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.385 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.41 -48.4 18.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.285 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASP . . . -53.06 -65.36 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.647 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.88 -32.78 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.259 0.552 . . . . 0.0 109.559 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.417 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.3 t -62.92 -49.93 72.85 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.882 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -96.78 -65.88 0.94 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.756 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 52.1 t0 -134.03 100.92 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 111.472 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' CD1' ' A' ' 29' ' ' PHE . 26.1 t-80 -70.61 -9.82 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.253 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 109' ' ' SER . 0.4 OUTLIER -45.06 -59.82 2.41 Favored 'General case' 0 C--N 1.338 0.073 0 O-C-N 121.916 -0.49 . . . . 0.0 110.915 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.52 -40.96 93.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.521 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 4.6 t80 -57.62 -28.33 63.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.503 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.536 ' CE1' ' CD1' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -64.19 -30.17 71.25 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.281 0.562 . . . . 0.0 109.504 178.354 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 38.6 mt-30 -81.32 -40.67 23.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.332 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 38.3 mtp -72.73 -37.09 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.173 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.521 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 9.9 p -65.8 -24.8 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.152 0.501 . . . . 0.0 110.99 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.1 29.93 18.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.082 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.1 mt -72.29 -30.48 64.86 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.193 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -86.26 5.36 34.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.648 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -47.35 -42.37 21.38 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -128.05 -94.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.563 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -145.43 -179.33 6.58 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.842 0.353 . . . . 0.0 111.211 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HA ' HG21 ' A' ' 43' ' ' VAL . . . -60.59 -30.0 69.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.36 -51.44 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' HA ' ' CD2' ' A' ' 5' ' ' LEU . 8.0 m-20 -62.56 -52.81 61.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.538 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.446 ' CG1' HD23 ' A' ' 6' ' ' LEU . 22.4 m -59.95 -38.23 75.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.951 0.405 . . . . 0.0 110.994 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 70.5 mttt -51.41 -29.4 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.151 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.34 -46.3 83.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.538 0.209 . . . . 0.0 111.079 -178.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.419 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 7.3 p -54.28 -25.83 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.004 0.43 . . . . 0.0 110.071 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.9 t80 -46.67 -42.59 16.67 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.275 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -74.22 -35.97 63.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 46' ' ' VAL . 37.7 mm -59.88 -51.51 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.626 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 51' ' ' ASP . 4.1 pp -78.13 -41.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.302 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -114.53 79.97 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.135 0.493 . . . . 0.0 110.472 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 40.2 pttt -46.78 -47.71 20.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.79 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 t70 -68.52 -15.24 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.3 tmtp? 43.98 33.9 0.84 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.508 0.671 . . . . 0.0 109.811 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -36.63 -27.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.516 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 103.72 -12.05 53.5 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.495 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 93.7 m-85 -158.79 127.56 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 0.0 110.287 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.554 ' HB ' HD21 ' A' ' 63' ' ' LEU . 1.5 mt -103.77 144.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -103.1 127.01 50.52 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.717 0.77 . . . . 0.0 112.447 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 3.6 pt-20 -33.8 -35.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.21 -51.28 55.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.359 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.13 -24.81 23.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.181 0.515 . . . . 0.0 110.496 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.554 HD21 ' HB ' ' A' ' 58' ' ' ILE . 2.0 mt -47.44 -52.66 16.31 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.92 -16.36 51.98 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -92.05 -54.35 3.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.444 0.64 . . . . 0.0 109.713 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 9.7 tp -57.34 -23.69 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.54 HD11 ' CZ ' ' A' ' 70' ' ' PHE . 1.2 mm? -48.26 -26.24 1.89 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.251 0.548 . . . . 0.0 111.073 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 27.2 mttm -50.54 -20.98 1.32 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.03 -54.68 3.02 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.74 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.54 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -97.93 -44.43 6.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.191 0.52 . . . . 0.0 110.072 177.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 74' ' ' ALA . 10.4 p -69.55 -0.9 7.41 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.5 t -46.98 -25.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.972 0.351 . . . . 0.0 111.222 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.437 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 3.5 m-20 -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.728 0.299 . . . . 0.0 111.058 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -92.16 -89.01 0.19 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.272 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -159.0 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.258 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 p30 168.87 175.2 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.198 0.523 . . . . 0.0 111.557 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -105.92 89.71 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.233 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' THR . 47.9 t -61.75 -175.67 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.558 0.218 . . . . 0.0 110.638 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.4 28.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.466 0.651 . . . . 0.0 110.384 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -50.7 -53.99 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.316 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -75.96 -25.42 55.85 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.009 -178.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 87.1 m -64.33 -48.94 73.68 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 4.8 mmpt? -74.62 -29.42 61.27 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.64 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 67.5 m -87.14 -56.77 3.23 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 81' ' ' GLU . 3.0 tm? -81.21 -51.58 8.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.424 ' HG2' HD11 ' A' ' 63' ' ' LEU . 3.9 tpp -61.29 -50.73 71.8 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.99 -178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.16 -24.9 63.45 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.258 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.61 -61.23 1.99 Allowed 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.488 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -51.96 -26.96 20.19 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.342 -0.933 . . . . 0.0 110.906 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 93' ' ' GLY . 23.6 t70 -95.38 35.7 1.3 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 109.904 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.2 tmtt? -33.63 -54.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.183 -0.917 . . . . 0.0 112.954 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.71 36.93 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -136.08 -157.52 7.85 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.526 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.92 -1.04 13.93 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 136.29 -4.18 3.74 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 119.833 -1.175 . . . . 0.0 113.914 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 13.5 mmtp -102.2 140.05 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.414 ' O ' HG13 ' A' ' 58' ' ' ILE . 19.2 mt -111.32 111.84 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.199 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.13 165.32 15.94 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.1 p -47.56 -33.86 3.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.169 0.485 . . . . 0.0 110.559 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.98 -49.29 38.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -26.92 64.39 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.396 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -52.64 -25.8 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 0.0 110.007 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.5 t -72.9 -44.35 61.38 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.42 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.43 HG21 ' HB3' ' A' ' 91' ' ' LYS . 47.2 m -56.32 -35.01 67.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.536 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 2.0 tt -58.28 -39.9 80.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.216 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.3 t -54.77 -34.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.122 0.487 . . . . 0.0 109.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.62 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.298 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.12 -69.27 0.12 Allowed 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.849 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.441 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.182 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.752 0.31 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 2' ' ' MET . 3.4 tpt -69.99 87.0 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.792 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.0 p -119.24 -42.43 2.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -58.18 -19.57 34.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.5 mm? -110.8 -54.23 2.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HG ' ' CG ' ' A' ' 2' ' ' MET . 48.2 mt -91.97 146.95 23.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 p -50.98 111.54 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.5 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.32 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 11.4 pt-20 -61.16 -43.55 98.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -60.17 -54.31 47.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.456 ' CG1' HG22 ' A' ' 33' ' ' VAL . 8.1 mt -56.9 -53.22 45.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.662 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -52.08 -43.66 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.964 0.412 . . . . 0.0 110.683 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 29.6 mttm -73.86 -50.77 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.579 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.46 -37.73 87.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.474 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 7.9 mt -73.37 -36.4 48.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.822 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.45 -57.21 1.21 Allowed Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.636 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -39.76 -49.65 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 25.9 p90 -136.11 120.45 17.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.654 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.434 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 94.3 m -91.59 -37.45 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 23' ' ' SER . . . -46.93 -41.91 16.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' CB ' ' CD1' ' A' ' 18' ' ' PHE . . . -49.26 -66.65 0.36 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.3 p-10 -69.47 -19.78 63.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.321 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 8.3 t -55.18 -65.17 0.63 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -96.86 -38.99 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.409 ' HA ' HD23 ' A' ' 85' ' ' LEU . 24.2 t70 -141.75 92.13 2.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.43 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.53 -8.1 38.41 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.954 178.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 24.4 mmmt -52.3 -54.67 28.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.874 0.369 . . . . 0.0 110.258 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' CG ' ' HE3' ' A' ' 32' ' ' MET . 0.0 OUTLIER -60.06 -46.97 87.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.397 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 26' ' ' HIS . 10.2 t80 -49.77 -46.0 50.21 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.805 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -49.96 -26.81 4.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.864 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 49.7 mt-30 -82.98 -49.41 9.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.159 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 2.5 mtt -72.14 -34.12 68.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.607 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.456 HG22 ' CG1' ' A' ' 11' ' ' ILE . 15.0 p -64.05 -25.21 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.96 26.6 21.55 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.733 -0.746 . . . . 0.0 114.21 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -71.95 -31.71 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.794 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -88.02 10.12 20.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.51 178.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 38' ' ' LYS . 47.5 tttp -46.33 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.341 0.203 0 CA-C-O 120.731 0.3 . . . . 0.0 111.204 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 19.8 mttt -81.03 -85.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.47 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -145.7 177.03 9.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -63.73 -35.66 81.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.423 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.418 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 10.3 m-20 -66.17 -51.07 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.513 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.485 HG21 ' N ' ' A' ' 44' ' ' LYS . 8.2 m -62.34 -35.53 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 110.315 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.485 ' N ' HG21 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -58.84 -29.93 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.34 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' CB ' ' HG ' ' A' ' 5' ' ' LEU . 4.4 mptp? -56.75 -38.91 73.08 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.447 HG12 ' CD2' ' A' ' 50' ' ' LEU . 5.7 p -57.57 -26.81 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' ASP . 24.1 t80 -49.44 -36.61 22.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.54 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' CD2' ' CE ' ' A' ' 54' ' ' LYS . 12.0 t-160 -75.68 -31.33 59.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.304 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.6 mm -70.54 -52.95 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.366 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.447 ' CD2' HG12 ' A' ' 46' ' ' VAL . 4.0 pp -82.16 -37.93 25.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -111.86 86.74 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.233 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.6 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.268 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.42 -20.62 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.65 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' CE ' ' CD2' ' A' ' 48' ' ' HIS . 55.4 mttt 41.88 42.36 2.21 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.527 0.68 . . . . 0.0 110.429 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -52.4 -18.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.764 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.56 -13.34 54.15 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.414 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 89.4 m-85 -161.59 127.9 3.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.957 0.408 . . . . 0.0 110.205 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.439 ' CG2' HD13 ' A' ' 63' ' ' LEU . 2.2 mt -103.16 144.35 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -98.7 122.41 41.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.145 0.974 . . . . 0.0 112.657 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 0.0 OUTLIER -38.41 -32.76 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.485 -1.689 . . . . 0.0 112.008 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 15.7 t70 -63.22 -51.2 67.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -88.0 -23.56 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 58' ' ' ILE . 4.0 tp -48.95 -50.43 35.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.989 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.23 -27.49 46.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -78.07 -58.22 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 0.0 110.058 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 50' ' ' LEU . 8.9 tp -59.4 -18.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.305 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.534 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -49.2 -25.9 2.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.068 0.461 . . . . 0.0 110.922 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' SER . 75.5 mttt -49.61 -20.54 0.8 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.596 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.61 -55.0 4.74 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.563 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CE2' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.655 0.74 . . . . 0.0 109.551 177.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.4 p -69.9 0.2 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.203 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.9 p -47.34 -26.76 1.37 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.919 -0.488 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.7 OUTLIER -116.98 25.42 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.458 178.655 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB1' ' CG2' ' A' ' 15' ' ' ILE . . . -119.87 -88.37 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.671 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 56.0 mtt180 -167.07 -88.31 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.146 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 4.6 p30 177.17 -175.86 0.14 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HB2' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -127.87 81.2 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.869 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -71.81 -172.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.448 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.55 -48.21 27.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -49.49 -53.71 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.632 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 85' ' ' LEU . 39.9 mt-10 -75.75 -28.83 58.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 96.9 m -58.35 -50.28 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -76.04 -31.0 58.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.121 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.406 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 62.7 m -87.69 -58.63 2.5 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 81' ' ' GLU . 1.6 mm? -83.16 -50.73 8.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.433 ' HE1' ' CD1' ' A' ' 77' ' ' LEU . 11.1 mmt -58.08 -50.8 72.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.37 -25.5 24.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.316 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 91' ' ' LYS . . . -76.12 -63.09 1.4 Allowed 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.441 ' O ' HD22 ' A' ' 105' ' ' LEU . . . -46.45 -37.99 8.92 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.8 p30 -91.74 38.29 0.98 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.818 -0.691 . . . . 0.0 109.791 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 88' ' ' ALA . 2.1 tmtt? -29.31 -35.6 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.512 1.125 . . . . 0.0 113.62 -178.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASP . 9.1 m-20 -55.92 -18.45 9.05 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.998 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.88 42.56 5.65 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.614 -0.327 . . . . 0.0 112.941 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -103.48 -4.55 23.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.6 0.238 . . . . 0.0 111.166 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 56.31 25.93 49.5 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.403 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 84.3 mttt -153.58 141.16 19.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 27.7 mt -107.21 112.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 111.881 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.98 170.06 13.99 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.429 ' CG2' ' HD3' ' A' ' 44' ' ' LYS . 10.7 p -47.6 -28.01 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 117.007 0.404 . . . . 0.0 111.033 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -54.93 6.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.348 0.594 . . . . 0.0 110.618 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -65.12 -26.81 68.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.848 -179.444 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.463 ' HA ' ' CG ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -52.58 -24.44 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.982 0.42 . . . . 0.0 110.32 179.708 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.8 m -78.11 -38.97 42.8 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.3 m -63.18 -43.79 97.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.094 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.79 -24.47 6.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.28 179.593 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.62 -36.96 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.017 0.437 . . . . 0.0 110.08 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.81 -30.19 40.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.161 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.428 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 10.2 mm-40 -55.82 -68.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.649 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.2 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.436 ' CE ' ' HA ' ' A' ' 2' ' ' MET . 0.1 OUTLIER -79.37 68.22 5.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 -179.702 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -105.64 -15.43 14.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.524 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.49 -44.06 58.73 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.166 0.507 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -87.42 -53.71 4.67 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.264 -178.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.449 HD22 HD23 ' A' ' 35' ' ' LEU . 91.0 mt -74.34 153.37 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 6.1 p -55.31 110.77 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.24 87.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 12.7 pt-20 -63.9 -43.13 96.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.0 111.101 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -53.71 51.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.777 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.438 HD13 ' CB ' ' A' ' 6' ' ' LEU . 14.9 mt -56.44 -52.55 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.768 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -53.04 -44.68 67.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.698 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 54.0 mttt -73.72 -52.52 12.95 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.076 0.465 . . . . 0.0 111.472 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.92 -32.2 70.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.435 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.507 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 5.7 mt -73.84 -46.71 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.833 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.77 -50.68 1.92 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.282 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -36.88 -55.41 0.9 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -131.65 62.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.548 0.689 . . . . 0.0 112.132 -178.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -42.28 -28.42 0.2 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.25 -40.71 11.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' ' CZ ' ' A' ' 18' ' ' PHE . . . -54.55 -64.99 0.66 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' HA ' ' CG ' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -58.9 -24.01 61.81 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.81 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -67.55 -52.17 41.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.172 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.469 ' CD2' ' OD1' ' A' ' 25' ' ' ASP . 43.4 t80 -96.15 -64.23 1.07 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.469 ' OD1' ' CD2' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -138.7 112.76 8.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.632 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CG ' ' HA ' ' A' ' 22' ' ' ASP . 13.4 m-70 -67.68 -12.67 60.99 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HE3' ' CB ' ' A' ' 108' ' ' GLU . 12.8 mmmm -48.2 -55.59 10.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.914 0.388 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -59.86 -49.16 78.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.684 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 20.8 t80 -50.87 -34.68 29.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.648 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.24 -28.24 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.751 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 47.4 mt-30 -83.24 -47.74 11.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.039 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 2.2 mtt -72.31 -32.08 66.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 111.234 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' A' ' 30' ' ' PHE . 13.2 p -64.56 -24.07 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 85.04 26.74 36.14 Favored Glycine 0 N--CA 1.452 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.988 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.449 HD23 HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -73.03 -29.98 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 109.927 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -87.64 -10.62 50.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.085 178.338 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -41.33 -70.1 0.12 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.623 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -80.1 -98.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.409 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.8 p -146.73 161.2 41.1 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -51.75 -34.82 41.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 0.0 110.468 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.52 -45.59 77.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' HB3' HD23 ' A' ' 5' ' ' LEU . 11.2 m-20 -54.01 -48.38 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.283 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' HB ' ' CD1' ' A' ' 35' ' ' LEU . 3.4 m -71.15 -36.48 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.526 0.679 . . . . 0.0 109.726 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' N ' HG21 ' A' ' 43' ' ' VAL . 44.0 tttt -51.54 -32.75 29.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.521 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HG3' ' CD1' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.87 -47.18 87.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.147 -178.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.456 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 8.7 p -55.68 -25.5 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.12 0.486 . . . . 0.0 110.008 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.49 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 35.3 t80 -45.61 -44.16 12.85 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.25 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -75.06 -36.18 61.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 39.4 mm -52.88 -50.02 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.512 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 51' ' ' ASP . 4.1 pp -87.23 -37.04 17.61 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.491 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -119.67 65.95 0.81 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.965 0.412 . . . . 0.0 111.397 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -72.49 -55.27 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.87 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.492 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.6 m-20 -117.62 10.84 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 55' ' ' SER . 28.4 tptp -45.46 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.637 0.256 . . . . 0.0 111.416 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 31.4 p 173.03 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.172 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.85 -12.96 46.01 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.17 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.85 161.72 39.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.205 0.526 . . . . 0.0 110.189 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.466 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -105.54 142.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.022 179.156 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -100.42 118.08 35.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.776 0.798 . . . . 0.0 111.357 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 5.3 pt-20 -36.79 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.666 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 10.6 m-20 -70.05 -52.35 24.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.131 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -85.65 -18.06 34.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.558 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -50.86 -31.36 17.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.49 179.685 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.93 -26.86 73.2 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.598 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -81.06 -58.88 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 tp -59.65 -24.42 28.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.881 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.53 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -47.43 -32.31 4.94 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.333 0.587 . . . . 0.0 110.86 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 72' ' ' SER . 3.8 mtpm? -50.03 -21.34 1.2 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.614 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.99 -53.81 4.57 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.581 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.53 ' CE2' ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.81 -45.32 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.234 0.54 . . . . 0.0 110.137 177.849 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ALA . 6.1 p -73.13 1.17 9.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.536 -177.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.91 -25.08 0.48 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.02 -0.425 . . . . 0.0 111.197 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.86 35.28 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -148.84 -90.1 0.08 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.693 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 74' ' ' ALA . 45.6 mtp180 -159.19 -168.19 2.27 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.613 0.244 . . . . 0.0 110.808 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -123.31 140.11 53.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.223 0.535 . . . . 0.0 111.948 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -63.07 100.56 0.22 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.556 179.231 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -82.14 -176.55 6.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.7 -50.07 26.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.219 0.533 . . . . 0.0 110.799 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -50.02 -47.05 53.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.71 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.4 mm-40 -73.08 -35.09 66.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.362 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 2.1 m -53.76 -50.34 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -76.07 -28.6 57.67 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.272 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 76.8 m -88.01 -58.31 2.61 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.452 ' HA ' HD11 ' A' ' 85' ' ' LEU . 2.7 mm? -83.35 -51.16 7.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.47 ' CE ' ' N ' ' A' ' 86' ' ' MET . 10.2 mmt -61.64 -46.96 87.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.996 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.62 -25.85 54.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.143 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' LYS . . . -81.48 -63.37 1.41 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.549 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.453 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -49.92 -33.47 20.86 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' ASP . 18.1 t0 -96.29 37.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.605 -0.797 . . . . 0.0 109.322 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -30.62 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.281 1.032 . . . . 0.0 113.462 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.0 m-20 -55.83 -18.45 8.67 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.589 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.37 3.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.462 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 11.8 m-20 -113.81 -8.65 13.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 76.56 0.36 67.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.203 -0.999 . . . . 0.0 113.272 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 42.4 mttt -143.67 144.82 32.04 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.409 HG21 HD12 ' A' ' 97' ' ' ILE . 44.3 mt -103.45 111.42 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.227 0.537 . . . . 0.0 111.614 -179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.63 168.38 33.13 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.428 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.49 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 8.1 p -48.41 -36.84 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.793 0.33 . . . . 0.0 111.239 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -73.36 -53.95 9.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.31 0.576 . . . . 0.0 110.676 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -33.46 66.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.745 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -52.34 -29.86 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.287 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 40' ' ' ALA . 95.5 p -74.92 -39.13 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.992 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 91.0 m -54.71 -37.44 65.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.979 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.526 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 1.5 tt -55.34 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.97 -35.37 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.896 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.32 -30.97 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.039 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.437 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 5.4 mm-40 -61.51 -66.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.309 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.437 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 11.4 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.971 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.871 0.367 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.502 ' CG ' ' HB ' ' A' ' 46' ' ' VAL . 15.9 mmt -88.77 15.62 8.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.501 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -74.88 -28.36 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 0.0 111.573 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.38 -20.62 27.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.411 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' N ' HD13 ' A' ' 5' ' ' LEU . 4.7 mp -107.61 -69.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 24.2 mt -75.44 154.44 37.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.328 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.425 ' CB ' ' OD2' ' A' ' 10' ' ' ASP . 4.2 p -53.32 110.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.68 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 1.6 pm0 -70.27 -37.24 74.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.63 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD2' ' CB ' ' A' ' 7' ' ' SER . 62.5 m-20 -69.06 -52.98 22.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.166 0.507 . . . . 0.0 111.62 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' A' ' 33' ' ' VAL . 34.6 mt -55.56 -48.62 77.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.523 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -56.97 -50.61 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.73 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' CE ' ' HB2' ' A' ' 9' ' ' GLU . 36.9 mttm -67.56 -50.67 57.39 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.69 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . . . -61.97 -36.94 82.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.755 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.546 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 9.4 mt -70.0 -37.48 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.697 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.54 -7.47 59.09 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.524 -0.845 . . . . 0.0 113.014 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.74 -13.95 23.75 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 12.3 m-30 -106.56 100.05 9.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 23' ' ' SER . 84.1 m -91.96 -49.32 6.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.764 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -100.6 -56.51 2.32 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -40.77 -66.08 0.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 111.857 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.35 -19.12 65.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.426 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -60.86 -46.86 88.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.041 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 17.2 p90 -95.99 -20.57 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -152.57 98.81 2.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -71.67 -20.2 61.98 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 178.43 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HE3' ' CB ' ' A' ' 108' ' ' GLU . 13.3 mmmm -45.2 -50.28 11.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.92 0.39 . . . . 0.0 110.518 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -60.91 -46.61 89.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 3.6 t80 -57.4 -28.06 62.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.852 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CD2' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -61.99 -31.1 71.43 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.36 0.6 . . . . 0.0 109.877 178.372 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 41.6 mt-30 -85.1 -41.17 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.119 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.8 -34.4 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.355 0.598 . . . . 0.0 110.756 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 9.8 p -66.39 -21.01 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.133 -0.939 . . . . 0.0 112.007 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 22.82 62.83 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.435 HD12 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -66.16 -32.55 74.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.6 mtpp -80.91 -12.97 59.31 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.457 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -42.94 -33.38 0.78 Allowed 'General case' 0 C--N 1.341 0.231 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -139.87 -178.85 5.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.05 165.88 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.58 -17.9 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.36 -47.86 82.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HA ' HD21 ' A' ' 5' ' ' LEU . 9.4 m-20 -61.03 -52.53 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 30.1 m -59.29 -38.27 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.11 0.481 . . . . 0.0 110.699 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -51.66 -28.96 16.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.237 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 14.0 mptt -60.1 -47.77 84.5 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.502 ' HB ' ' CG ' ' A' ' 2' ' ' MET . 0.5 OUTLIER -54.02 -32.22 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE1' ' CD1' ' A' ' 102' ' ' PHE . 1.9 t80 -58.56 -40.99 84.62 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.541 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.442 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 38.5 t60 -75.44 -38.53 59.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.505 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 41.7 mm -50.76 -49.61 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.618 0.723 . . . . 0.0 109.523 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 66' ' ' ILE . 4.3 pp -82.88 -42.61 17.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.479 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.442 ' O ' ' HA ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -119.49 96.73 5.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.646 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 17.5 ptpt -57.9 -50.41 73.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.656 0.265 . . . . 0.0 111.422 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 13.0 t70 -100.54 -22.43 14.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.977 0.417 . . . . 0.0 110.629 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' PHE . 24.9 mttt 56.46 9.85 0.6 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.9 p 38.57 28.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.558 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.4 11.8 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-N 115.67 -0.695 . . . . 0.0 113.095 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.521 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -168.31 165.56 12.86 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.524 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 10.4 mt -106.51 143.76 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 121.14 40.84 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.906 0.86 . . . . 0.0 111.405 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -36.54 -33.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.954 -1.476 . . . . 0.0 112.35 -179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.46 -51.99 44.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.967 0.413 . . . . 0.0 110.623 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.22 -21.5 36.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.074 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.432 HD12 ' CG2' ' A' ' 58' ' ' ILE . 3.1 tp -48.35 -50.59 29.93 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.48 -21.09 53.58 Favored Glycine 0 C--N 1.318 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.521 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.8 t -86.88 -57.69 2.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.219 0.533 . . . . 0.0 109.786 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 6.8 tp -60.5 -15.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.728 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.494 HD11 ' CE2' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -48.8 -28.82 3.95 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.149 0.499 . . . . 0.0 110.642 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.2 mttp -50.08 -21.79 1.4 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.349 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.31 -54.89 3.79 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.171 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.494 ' CE2' HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -97.9 -42.16 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.7 p -72.98 4.18 4.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.686 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 41.6 t -43.5 -25.23 0.14 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.317 0.508 . . . . 0.0 111.844 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.13 40.49 1.74 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.264 0.554 . . . . 0.0 110.342 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -157.68 -145.24 0.14 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 76' ' ' ASP . 82.3 mtp180 -107.11 -93.7 0.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.994 0.361 . . . . 0.0 111.403 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 2.4 p-10 169.19 174.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 111.206 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD22 ' CG ' ' A' ' 86' ' ' MET . 4.8 mp -66.06 116.8 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.7 t -92.09 -174.68 3.84 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.9 -50.42 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 110.542 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.18 -49.36 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.398 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' LEU . 11.3 mt-10 -71.78 -31.26 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.401 -178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.412 ' HA ' ' HG3' ' A' ' 86' ' ' MET . 52.0 m -59.53 -50.66 73.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 4.6 mmpt? -76.08 -29.97 58.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.094 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 89.1 m -88.36 -58.35 2.59 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -177.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 26' ' ' HIS . 4.7 tp -80.17 -50.37 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.464 ' CG ' HD22 ' A' ' 77' ' ' LEU . 26.4 mtt -63.99 -52.29 60.25 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.721 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.08 98.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -70.69 -47.66 58.75 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.447 ' CA ' HD22 ' A' ' 105' ' ' LEU . . . -47.23 -35.83 9.64 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.947 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 93' ' ' GLY . 3.0 p30 -95.77 38.39 1.17 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HG2' HG21 ' A' ' 104' ' ' THR . 26.0 mmmt -34.26 -32.44 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.19 37.63 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -131.39 -165.46 11.44 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.979 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.26 18.81 17.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.518 0.199 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.424 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 104.53 41.71 1.98 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.568 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 45.6 mttp -150.77 140.96 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.882 0.372 . . . . 0.0 110.711 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.412 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 21.1 mt -106.9 111.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.985 0.422 . . . . 0.0 110.578 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' A' ' 57' ' ' PHE . . . -109.91 -154.56 14.94 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.059 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.9 p -68.49 -43.38 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.2 0.5 . . . . 0.0 111.562 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.6 pt-20 -72.0 -51.9 19.63 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 1.4 mp0 -57.84 -33.48 68.7 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.896 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 4.3 t80 -52.73 -23.38 6.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.304 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -74.57 -38.86 62.55 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.451 HG21 ' HG2' ' A' ' 91' ' ' LYS . 87.6 m -61.57 -42.96 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.907 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.482 ' CG ' ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -58.61 -23.61 59.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.63 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.4 -34.9 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.57 -27.11 37.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.506 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.454 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 31.7 mt-10 -64.0 -67.52 0.42 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.67 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.451 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.23 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.455 ' HG3' ' CG2' ' A' ' 46' ' ' VAL . 15.9 tmm? -121.76 -38.82 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p -68.41 -27.5 66.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.46 -25.9 66.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.437 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 4.8 mp -102.21 -60.86 1.47 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.708 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.445 ' CB ' HD11 ' A' ' 11' ' ' ILE . 37.4 mt -74.63 137.65 42.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.615 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 p -54.48 111.14 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.284 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.96 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.399 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 17.6 tt0 -66.79 -49.08 66.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.55 -53.79 49.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.476 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.445 HD11 ' CB ' ' A' ' 6' ' ' LEU . 20.3 mt -56.57 -53.34 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.591 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -54.46 -42.61 70.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 34.5 mtpt -71.22 -53.02 15.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.224 0.535 . . . . 0.0 111.24 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.42 -35.77 80.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.178 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 74' ' ' ALA . 6.5 mm -63.68 -55.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.42 -4.32 60.94 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -92.12 -7.84 47.38 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.181 0.991 . . . . 0.0 112.783 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 3.1 m-30 -115.35 111.01 20.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.1 p -91.88 -48.9 6.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.344 178.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -100.3 -50.63 3.88 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.054 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -38.02 -66.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 15.9 p-10 -71.06 -21.3 62.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -52.16 -44.92 64.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.921 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 35.3 p90 -95.53 -36.68 11.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 66.8 t0 -146.27 105.17 3.87 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.475 ' CD2' ' OE2' ' A' ' 81' ' ' GLU . 35.8 m-70 -71.74 -12.15 61.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.78 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG3' ' OD1' ' A' ' 25' ' ' ASP . 17.2 mtmm -47.5 -52.77 16.26 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.14 -0.35 . . . . 0.0 110.505 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.35 -44.71 92.64 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 20.2 t80 -55.5 -31.67 62.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.287 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.39 -28.85 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.206 0.527 . . . . 0.0 110.071 178.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 22.0 mt-30 -84.28 -49.32 8.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.96 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.454 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 37.7 mtt -72.39 -27.74 62.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.439 HG13 ' HA ' ' A' ' 30' ' ' PHE . 13.8 p -67.04 -25.41 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.85 17.35 30.6 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.286 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.479 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -72.8 -32.06 65.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.261 0.553 . . . . 0.0 109.956 179.428 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.7 mtpp -87.18 10.91 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.942 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HG2' ' HG3' ' A' ' 38' ' ' LYS . 48.9 tttm -47.54 -65.83 0.5 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.505 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 32.4 mtmt -106.41 -90.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.447 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -143.29 -178.88 6.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 111.041 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' CB ' ' CB ' ' A' ' 103' ' ' SER . . . -65.78 -20.12 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.295 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.21 -44.39 92.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -67.37 -52.31 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.153 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.448 ' CG1' ' CD2' ' A' ' 35' ' ' LEU . 35.1 m -56.31 -35.55 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -49.53 -30.61 8.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.78 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 5.7 mptp? -59.77 -52.32 65.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 2' ' ' MET . 11.3 p -55.01 -26.7 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -60.67 -46.12 91.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.433 179.678 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' LYS . 85.7 m-70 -69.79 -41.52 74.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.365 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 45' ' ' LYS . 8.8 mm -52.58 -50.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 109.865 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -80.54 -37.79 30.85 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.327 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -120.05 61.77 0.85 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -71.57 -53.01 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.496 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 18.6 t70 -115.59 11.0 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -52.21 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.979 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m 171.28 36.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.773 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.25 10.14 39.83 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 57' ' ' PHE . 4.7 p90 -164.58 144.28 7.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -103.74 143.57 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.442 0.639 . . . . 0.0 111.259 -178.209 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 96' ' ' LYS . 27.4 mt-10 -100.54 122.45 43.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.57 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 4.3 pt-20 -42.96 -32.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.843 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 7.2 m-20 -70.49 -52.88 18.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.67 -18.11 58.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.994 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -47.13 -51.0 19.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.255 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.35 -28.06 42.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.884 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.51 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.9 m -81.09 -62.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.453 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 4.7 tp -56.28 -17.15 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.328 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.493 HD13 ' CE2' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -45.32 -47.67 13.2 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.91 -13.11 0.09 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -178.256 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.14 -55.02 10.82 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 119.378 -1.391 . . . . 0.0 110.409 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.493 ' CE2' HD13 ' A' ' 67' ' ' LEU . 4.2 p90 -98.61 -39.36 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 122.152 0.977 . . . . 0.0 108.586 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.412 ' HA ' HD11 ' A' ' 15' ' ' ILE . 18.7 t -73.79 2.33 8.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.484 -1.689 . . . . 0.0 113.057 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -45.79 -25.79 0.56 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.929 -0.482 . . . . 0.0 111.325 -179.032 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 5.0 m-20 -120.14 25.13 10.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.547 178.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.447 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -134.07 -155.46 0.66 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.438 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' NE ' ' OG ' ' A' ' 23' ' ' SER . 63.0 mtp85 -101.32 166.82 10.56 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.003 0.43 . . . . 0.0 111.398 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.3 161.53 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.367 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.43 ' HG ' ' CB ' ' A' ' 81' ' ' GLU . 1.5 tp -77.02 124.51 27.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.67 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 47.9 t -103.13 -167.49 1.39 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.76 0.314 . . . . 0.0 110.37 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -51.31 -50.46 59.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.289 0.566 . . . . 0.0 110.761 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 84' ' ' THR . 99.1 mttt -60.61 -54.94 39.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.855 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.475 ' OE2' ' CD2' ' A' ' 26' ' ' HIS . 5.4 mt-10 -66.76 -35.16 79.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.65 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 99.0 m -60.64 -49.38 77.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 30.3 mmmt -73.65 -25.32 60.22 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.93 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.448 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 88.5 m -86.05 -56.19 3.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.081 0.467 . . . . 0.0 112.086 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 85' ' ' LEU . 4.2 mm? -72.42 -48.26 42.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.422 ' SD ' ' HG ' ' A' ' 63' ' ' LEU . 5.9 mmm -81.68 -50.69 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.55 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -59.69 -30.82 69.05 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.838 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -83.69 -56.09 3.91 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.158 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.421 ' HA3' HD11 ' A' ' 97' ' ' ILE . . . -56.36 -28.34 54.99 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.338 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 92' ' ' ASP . 36.0 t70 -96.07 38.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.336 . . . . 0.0 110.351 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -32.69 -25.83 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.529 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 12.1 t70 -58.06 -21.63 46.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.828 0.74 . . . . 0.0 109.978 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.15 53.75 7.52 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.862 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 18.6 t70 -113.27 -9.74 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.54 -18.03 56.03 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.209 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -123.1 143.14 50.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.414 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -102.78 111.58 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.094 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -101.96 -173.43 27.77 Favored Glycine 0 N--CA 1.44 -1.048 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.981 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.2 -31.47 42.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.42 -54.99 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.151 0.501 . . . . 0.0 111.255 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.76 -22.75 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.217 -179.295 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CD1' ' CE2' ' A' ' 47' ' ' PHE . 3.3 t80 -51.18 -50.5 58.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . 47.3 t -57.01 -29.85 63.68 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.443 HG21 ' CG ' ' A' ' 91' ' ' LYS . 13.5 m -70.19 -40.27 74.73 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.225 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.51 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -58.57 -38.26 77.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.2 -51.4 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.05 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.54 81.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.326 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -52.86 -68.55 0.16 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.314 0.578 . . . . 0.0 110.549 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 3.4 t . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.74 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.442 ' HE3' ' CA ' ' A' ' 46' ' ' VAL . 12.9 tpp 65.41 41.03 4.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.027 0.441 . . . . 0.0 110.388 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.444 HG21 ' CB ' ' A' ' 8' ' ' ALA . 31.0 p -98.64 -30.43 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.338 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.43 -19.38 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.285 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.434 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 5.5 mp -119.2 -65.86 1.13 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 111.373 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 21.1 mt -74.27 144.47 44.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 2.7 p -51.7 110.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.444 ' CB ' HG21 ' A' ' 3' ' ' THR . . . -61.93 -43.59 98.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 14.8 tt0 -73.2 -50.15 24.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.792 0.33 . . . . 0.0 110.989 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.41 ' HB3' ' OG ' ' A' ' 7' ' ' SER . 10.8 t0 -49.83 -46.69 51.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.037 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.45 HG12 HG22 ' A' ' 33' ' ' VAL . 20.8 mt -56.78 -45.15 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.405 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.59 -42.62 97.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.897 0.38 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 9' ' ' GLU . 1.8 mtpp -67.65 -50.54 57.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -67.45 -36.91 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.509 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.53 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 5.3 mt -67.51 -36.85 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.56 -4.97 63.58 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.1 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.06 32.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.045 0.423 . . . . 0.0 111.894 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CG ' ' HB2' ' A' ' 22' ' ' ASP . 12.8 m-85 -109.9 74.73 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.252 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -92.33 -36.6 13.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.33 -61.39 1.44 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.84 -67.87 0.83 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . 11.8 m-20 -56.93 -17.62 10.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.747 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -45.45 -25.99 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.667 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 25' ' ' ASP . 5.6 p90 -84.54 -47.5 10.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.472 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.543 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.1 p30 -78.81 85.97 4.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.65 0.262 . . . . 0.0 110.949 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.504 ' CD2' ' HB3' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -70.79 -14.34 62.38 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.505 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -57.09 14.18 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.547 0.689 . . . . 0.0 110.361 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -38.32 68.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.685 -1.143 . . . . 0.0 107.939 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CZ ' ' CG1' ' A' ' 15' ' ' ILE . 27.0 t80 -63.47 -37.07 85.89 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.55 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.5 ' HA ' HG13 ' A' ' 33' ' ' VAL . 6.3 t80 -52.08 -27.42 13.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.233 0.539 . . . . 0.0 109.762 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 41.6 mt-30 -84.35 -54.37 4.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.486 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.3 mtp -71.46 -20.39 62.09 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.518 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 13.4 p -74.1 -24.65 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.117 0.484 . . . . 0.0 111.103 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.2 24.18 41.57 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.391 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.488 HD23 ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -74.33 -31.61 62.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -79.6 -8.61 59.3 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.661 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -45.37 -27.6 0.71 Allowed 'General case' 0 C--N 1.345 0.388 0 CA-C-O 120.818 0.342 . . . . 0.0 110.995 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -143.22 -179.76 6.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.28 157.57 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.983 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 43' ' ' VAL . . . -54.54 -20.74 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 9.7 m-20 -62.31 -34.66 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.092 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.97 -52.74 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 29.1 m -57.3 -40.84 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.395 0.617 . . . . 0.0 110.32 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 64.5 mttt -52.47 -27.34 15.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 14.1 mptt -56.89 -47.12 81.25 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' CA ' ' HE3' ' A' ' 2' ' ' MET . 0.6 OUTLIER -58.24 -28.75 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.709 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 102' ' ' PHE . 9.3 t80 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.753 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.0 -37.96 89.34 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 45' ' ' LYS . 37.5 mm -55.52 -48.67 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.32 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 66' ' ' ILE . 5.3 mt -89.13 -24.09 22.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.338 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 1.8 m-20 -91.71 26.6 2.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 111.711 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -62.12 -41.04 97.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.47 -19.21 13.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -62.79 -14.24 42.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.54 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m 69.85 22.89 5.78 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.28 -12.66 58.61 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.345 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.468 ' CD2' ' HA3' ' A' ' 98' ' ' GLY . 36.2 m-85 -144.49 132.77 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.16 0.505 . . . . 0.0 111.331 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.535 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 1.4 mp -103.97 144.0 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -99.98 137.78 37.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.858 -177.122 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 0.2 OUTLIER -32.08 -38.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.873 0.733 . . . . 0.0 112.573 -177.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.69 -52.38 26.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.6 mm-40 -76.95 -17.68 58.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.395 178.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -50.4 -24.04 2.79 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.818 179.134 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.47 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -74.86 -20.17 79.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.702 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -86.52 -51.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.83 0.824 . . . . 0.0 108.794 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -52.77 -41.0 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.0 179.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' HG ' ' CB ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -50.18 -39.83 45.01 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 111.159 -179.651 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 38.5 mttp -50.01 -26.56 4.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.939 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.446 ' HA3' ' CD1' ' A' ' 50' ' ' LEU . . . -44.34 -48.38 8.45 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.657 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 49.8 p90 -95.19 -49.2 5.6 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.428 0.633 . . . . 0.0 109.481 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.496 ' HB3' ' CE2' ' A' ' 70' ' ' PHE . 60.2 p -69.83 -0.09 6.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.504 -1.226 . . . . 0.0 114.114 -177.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 30.1 t -46.49 -23.33 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.442 . . . . 0.0 111.55 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.14 29.78 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.522 0.201 . . . . 0.0 111.533 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.438 ' CB ' HG22 ' A' ' 15' ' ' ILE . . . -154.87 -90.19 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -152.34 -174.34 4.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.661 0.267 . . . . 0.0 110.806 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -127.9 146.9 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 112.012 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -35.82 135.45 0.3 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 178.383 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.6 m -113.15 -179.11 3.55 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.8 -50.42 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.285 0.564 . . . . 0.0 110.82 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.484 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 63.2 tttp -56.13 -54.08 49.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.18 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . 31.3 mt-10 -59.49 -25.95 64.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.478 ' HA ' HD11 ' A' ' 77' ' ' LEU . 48.6 m -63.34 -51.65 65.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 4.0 mmpt? -77.6 -27.98 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.819 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 37.3 m -88.39 -59.49 2.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.504 ' HB3' ' CD2' ' A' ' 26' ' ' HIS . 3.2 mm? -83.64 -52.17 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -177.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.467 ' CE ' ' N ' ' A' ' 86' ' ' MET . 5.2 mmt -61.09 -51.5 68.87 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.553 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -23.77 62.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.671 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.41 -65.28 0.98 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.074 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.435 ' CA ' HD11 ' A' ' 105' ' ' LEU . . . -49.96 -28.65 12.67 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.076 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' ASP . 13.4 p30 -95.17 39.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.68 0.392 . . . . 0.0 110.326 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.489 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.6 -32.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -178.242 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 90' ' ' ASP . 22.2 t70 -55.96 -19.96 14.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.393 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.55 46.37 7.4 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.208 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -109.96 -7.87 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.634 0.254 . . . . 0.0 111.047 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.8 27.97 72.57 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.906 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 55.1 mttt -152.06 142.68 22.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.784 0.326 . . . . 0.0 110.645 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.473 HG23 ' CE1' ' A' ' 47' ' ' PHE . 27.6 mt -104.9 141.07 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.894 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.468 ' HA3' ' CD2' ' A' ' 57' ' ' PHE . . . -142.25 171.18 24.72 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.343 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.6 p -47.73 -36.81 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -54.32 8.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 110.65 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -63.94 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.031 -179.16 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 5.5 t80 -53.55 -26.12 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.072 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.9 t -68.76 -45.2 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.053 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.489 HG21 ' CB ' ' A' ' 91' ' ' LYS . 85.0 m -58.38 -42.9 88.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.492 HD23 ' CE1' ' A' ' 26' ' ' HIS . 27.9 tp -54.71 -29.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.102 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.428 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 26.3 t -69.61 -41.76 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.038 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.04 -28.25 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.948 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -50.83 -65.87 0.48 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.818 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.426 ' OG ' ' HG3' ' A' ' 31' ' ' GLN . 26.8 t . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.98 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 2' ' ' MET . 47.0 t . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.725 0.298 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.441 ' HG3' ' CG2' ' A' ' 46' ' ' VAL . 35.5 ttp 86.6 -36.43 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.762 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -73.36 -33.19 64.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.815 0.34 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -75.72 -25.08 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -106.42 -58.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CB ' HD11 ' A' ' 11' ' ' ILE . 16.1 mt -88.01 145.33 26.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.434 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 6.4 p -60.87 110.39 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.249 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.18 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.06 -48.95 79.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.163 0.506 . . . . 0.0 111.314 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.44 -52.13 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.241 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.482 HG12 ' CG2' ' A' ' 33' ' ' VAL . 19.2 mt -54.52 -53.44 31.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.456 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -55.84 -45.99 78.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 19.9 mtpp -67.94 -50.1 57.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.357 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -51.66 55.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.101 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.51 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 9.0 mt -56.86 -45.62 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.93 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.45 -37.12 32.09 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.576 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -75.29 -4.86 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.451 ' CG ' ' HB2' ' A' ' 21' ' ' ALA . 11.0 m-30 -115.16 88.87 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 23' ' ' SER . 95.1 m -90.72 -45.31 8.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -97.57 -37.29 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.192 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . . . -47.74 -66.0 0.47 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.769 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' OD2' ' CB ' ' A' ' 18' ' ' PHE . 68.8 m-20 -58.12 -30.6 66.43 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.8 -32.26 73.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.361 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ALA . 64.2 t80 -95.26 -48.02 6.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.819 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 24.0 t70 -159.49 101.61 1.53 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 111.753 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -70.81 -18.44 62.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.652 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' OG ' ' A' ' 109' ' ' SER . 30.1 mmmt -49.0 -50.71 34.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -59.41 -45.74 90.67 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 24.1 t80 -56.43 -36.14 68.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.565 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -52.73 -31.7 39.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.3 0.572 . . . . 0.0 109.528 178.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.4 mt-30 -84.66 -41.69 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.513 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.9 mmm -71.22 -35.8 71.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.392 0.615 . . . . 0.0 110.984 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 14.7 p -66.13 -21.99 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.895 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.64 20.17 54.73 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.856 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -67.6 -34.35 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.328 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.9 mtpp -78.78 -13.71 59.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.349 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 tmmt? -53.81 -22.84 10.41 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.69 0.281 . . . . 0.0 111.21 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -131.83 -174.34 3.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.012 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.5 p -87.27 171.91 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -50.54 -48.36 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.454 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -53.04 -38.0 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -70.55 -52.73 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 35' ' ' LEU . 16.1 m -59.96 -36.32 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 110.919 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -49.94 -29.04 7.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.768 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 4.5 mptp? -57.53 -52.91 63.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.105 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 2' ' ' MET . 4.3 p -61.82 -26.98 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.673 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.498 ' CE1' HD12 ' A' ' 58' ' ' ILE . 41.0 t80 -74.1 -38.05 63.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.439 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -67.27 -43.15 82.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 45' ' ' LYS . 5.3 mm -48.41 -49.07 13.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.404 0.621 . . . . 0.0 110.167 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 66' ' ' ILE . 4.2 pp -86.82 -27.44 23.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.58 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.1 t70 -105.83 36.49 2.53 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 46.7 pttt -69.11 -49.17 59.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 111.568 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.53 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 22.0 t70 -115.87 20.01 14.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 57' ' ' PHE . 1.9 tppp? -80.68 3.64 21.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.716 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 9.0 t 82.1 4.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.59 -14.1 60.79 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.186 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 57' ' ' PHE . 2.9 p90 -141.97 133.39 26.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 110.077 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.498 HD12 ' CE1' ' A' ' 47' ' ' PHE . 2.9 mt -101.65 145.61 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.191 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.2 122.78 42.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.095 0.95 . . . . 0.0 111.7 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 61' ' ' ASP . 3.1 pt-20 -36.82 -33.21 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.585 -1.643 . . . . 0.0 112.226 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 15.3 m-20 -70.95 -53.5 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 111.447 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -78.02 -19.99 53.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.143 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.502 ' HG ' ' CE ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -47.5 -47.36 27.58 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.511 -179.568 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.448 ' N ' HD21 ' A' ' 77' ' ' LEU . . . -52.1 -36.03 42.88 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.348 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -75.79 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.269 0.557 . . . . 0.0 110.057 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 63' ' ' LEU . 7.3 tp -61.45 -15.75 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.5 ' HG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -51.61 -25.53 7.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.971 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -48.82 -21.99 0.74 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.013 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.6 -54.4 6.6 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.273 -0.965 . . . . 0.0 111.186 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.5 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 1.5 p90 -98.08 -43.74 6.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.571 0.701 . . . . 0.0 109.388 177.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' ALA . 96.0 p -70.95 2.07 4.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.776 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.7 p -45.76 -24.47 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.835 -0.541 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.16 -27.25 16.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.598 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -93.94 -156.84 0.51 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.25 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -100.11 -84.31 0.42 Allowed 'General case' 0 C--O 1.231 0.101 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -175.78 -169.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.819 0.342 . . . . 0.0 111.113 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -103.82 136.53 43.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 -179.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.5 m -106.78 -173.62 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.62 -50.83 31.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -51.12 -53.81 30.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -72.32 -25.63 61.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 60' ' ' GLU . 95.1 m -62.6 -49.81 73.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 14.9 mtpt -76.66 -29.0 56.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.19 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 42.9 m -88.7 -57.72 2.81 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 81' ' ' GLU . 34.6 tp -74.44 -48.88 24.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -176.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.502 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mmm -75.26 -53.62 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.027 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -64.35 -25.16 67.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.527 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -82.85 -39.82 21.13 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.342 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.496 ' CA ' ' HB3' ' A' ' 105' ' ' LEU . . . -69.07 -38.88 84.35 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.76 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' ASP . 4.2 p30 -92.12 39.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.482 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.469 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -30.71 -28.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.362 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASP . 12.7 t70 -56.51 -21.05 23.41 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.776 -0.577 . . . . 0.0 109.617 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 10.19 63.45 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.782 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.45 -6.05 40.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.185 0.492 . . . . 0.0 110.966 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.46 24.86 68.07 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.165 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 50.1 mttp -145.18 139.34 27.16 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.067 0.46 . . . . 0.0 110.669 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.457 ' CD1' HD23 ' A' ' 105' ' ' LEU . 25.5 mt -106.78 112.06 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.292 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -110.88 170.3 13.81 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.473 ' N ' ' CE2' ' A' ' 47' ' ' PHE . 14.6 p -46.72 -29.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 117.104 0.452 . . . . 0.0 111.244 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.65 -51.99 17.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.275 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.476 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -73.04 -23.0 60.54 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.462 ' HA ' ' CG ' ' A' ' 105' ' ' LEU . 1.9 t80 -52.1 -31.61 31.48 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.3 0.571 . . . . 0.0 109.857 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 93.0 p -71.08 -31.17 67.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.469 HG21 ' CG ' ' A' ' 91' ' ' LYS . 2.9 m -68.48 -48.48 64.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.749 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.496 ' HB3' ' CA ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -59.62 -38.51 81.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.529 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.2 t -54.1 -29.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.62 34.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.386 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -70.38 0.14 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.964 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.3 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.333 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 2' ' ' MET . 47.2 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.541 0.21 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.433 ' CG ' HD11 ' A' ' 6' ' ' LEU . 15.2 ttp 84.89 -41.29 0.06 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.757 0.423 . . . . 0.0 111.875 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.0 m -65.78 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.11 0.481 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.76 -25.7 21.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.483 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' CD1' ' CB ' ' A' ' 45' ' ' LYS . 23.3 mt -84.25 -64.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.586 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.444 ' CB ' HD11 ' A' ' 11' ' ' ILE . 62.7 mt -75.43 145.66 41.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 3.0 p -50.05 110.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.396 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.91 89.8 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 28.8 tt0 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.155 0.502 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -55.55 -54.54 42.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.124 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.448 HG12 ' CG2' ' A' ' 33' ' ' VAL . 15.4 mt -57.01 -53.57 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.683 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -53.21 -50.78 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 1.2 mtpm? -66.02 -51.77 55.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.382 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.179 0.514 . . . . 0.0 111.615 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.428 ' CG2' ' HB2' ' A' ' 73' ' ' ASP . 5.4 mm -54.67 -51.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.26 -3.44 61.59 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.641 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -82.81 -29.09 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -117.08 120.48 38.46 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 0.0 112.144 -178.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 9.2 t -91.83 -34.22 14.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -97.97 -45.5 6.25 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.816 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB3' ' CB ' ' A' ' 18' ' ' PHE . . . -43.76 -66.79 0.34 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' OD2' ' CD2' ' A' ' 29' ' ' PHE . 4.4 t70 -61.97 -19.03 62.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.884 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -72.0 -56.21 6.06 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.631 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 42.0 p90 -95.77 -18.53 20.35 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' N ' ' OE2' ' A' ' 81' ' ' GLU . 24.2 t0 -164.13 96.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.248 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -71.17 -20.24 62.31 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.63 179.154 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' O ' ' OG ' ' A' ' 109' ' ' SER . 0.5 OUTLIER -45.49 -49.39 13.66 Favored 'General case' 0 C--N 1.34 0.194 0 O-C-N 121.87 -0.519 . . . . 0.0 110.378 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.63 -50.5 73.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 2.1 t80 -54.16 -28.64 41.52 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.414 178.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CD2' ' CE1' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -63.45 -26.92 68.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.186 178.293 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.521 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 50.9 mt-30 -85.01 -42.51 14.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.491 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 5.1 mmt -69.51 -35.47 75.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.757 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.493 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 14.2 p -66.46 -20.42 27.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.697 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.39 31.97 44.4 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.597 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 30' ' ' PHE . 3.5 mt -70.5 -27.34 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 0.0 109.932 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 1.1 mtmm -94.48 -4.96 47.19 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.261 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -43.41 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.344 0.333 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -75.22 -96.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.899 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.9 p -146.11 167.64 22.91 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.783 0.325 . . . . 0.0 110.682 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 103' ' ' SER . . . -61.56 -21.18 64.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -71.17 -51.51 24.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.082 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -51.89 -46.04 64.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.214 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 44' ' ' LYS . 21.5 m -71.09 -41.42 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.582 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 10.5 ttpt -53.86 -28.41 35.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.619 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CB ' ' CD1' ' A' ' 5' ' ' LEU . 5.9 mptp? -58.15 -46.52 85.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.456 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.414 ' HA ' ' CG1' ' A' ' 49' ' ' ILE . 3.7 p -52.92 -27.09 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.248 0.547 . . . . 0.0 109.83 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.481 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 34.4 t80 -46.42 -51.31 15.33 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.485 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -70.29 -30.97 68.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.071 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 38.9 mm -61.29 -48.74 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.89 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -87.33 -33.92 19.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.28 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.9 t70 -84.29 10.49 10.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' HB2' ' A' ' 53' ' ' ASP . 3.6 pptp? -54.14 -39.19 66.27 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.166 -0.213 . . . . 0.0 111.447 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 22.7 t70 -115.14 26.0 10.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HE3' ' CG ' ' A' ' 62' ' ' GLU . 35.0 mmtm -105.18 1.71 28.51 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.0 t 73.71 13.96 4.26 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.26 -2.57 54.43 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.287 -0.959 . . . . 0.0 113.987 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -145.64 141.87 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.295 0.547 . . . . 0.0 111.625 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -105.73 128.87 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.471 178.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' HG2' ' CD ' ' A' ' 96' ' ' LYS . 5.5 mt-10 -102.9 129.4 49.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.609 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.0 OUTLIER -35.31 -37.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.936 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -51.55 53.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' CG ' ' HE3' ' A' ' 54' ' ' LYS . 7.1 tp10 -77.46 -20.98 53.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.617 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -47.8 -48.03 30.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.945 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' HA2' HD13 ' A' ' 67' ' ' LEU . . . -59.53 -33.61 77.53 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.51 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -77.71 -56.88 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.359 0.599 . . . . 0.0 109.926 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.45 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 5.5 tp -59.33 -20.43 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.741 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.492 ' HG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -47.12 -28.31 1.73 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.189 0.518 . . . . 0.0 111.413 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -48.3 -20.61 0.41 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.339 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.1 -57.43 7.03 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.721 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.492 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 7.6 p90 -98.04 -36.45 10.11 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.851 0.834 . . . . 0.0 108.907 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.418 ' HA ' HD11 ' A' ' 15' ' ' ILE . 37.4 t -73.57 2.68 7.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 113.946 -1.479 . . . . 0.0 113.14 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 t -44.58 -25.34 0.26 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.046 -0.408 . . . . 0.0 111.879 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.428 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 5.4 m-20 -122.36 22.51 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.004 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.424 ' HB2' HG22 ' A' ' 15' ' ' ILE . . . -123.36 -157.28 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 19' ' ' THR . 11.1 mpt_? -94.46 -96.34 0.16 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 121.214 -0.195 . . . . 0.0 111.233 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 1.9 p-10 168.83 177.31 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.199 0.523 . . . . 0.0 111.877 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -88.25 115.41 25.73 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.215 179.251 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 m -92.79 -175.65 3.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.361 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.57 24.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.393 0.616 . . . . 0.0 110.481 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' THR . 60.2 tttp -56.89 -50.45 72.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.635 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.8 mm-40 -68.27 -31.89 71.67 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.74 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -61.2 -49.96 75.06 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.214 -0.995 . . . . 0.0 108.738 178.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.425 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 30.3 mmmt -76.2 -27.11 56.74 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.788 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 80' ' ' LYS . 85.1 m -88.61 -58.12 2.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 81' ' ' GLU . 15.6 tp -80.98 -50.41 9.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.415 ' HG3' ' HA ' ' A' ' 60' ' ' GLU . 3.7 tmm? -67.24 -48.13 68.72 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.774 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 83' ' ' LYS . . . -64.33 -38.41 90.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.615 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.467 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . -67.29 -66.45 0.56 Allowed 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.547 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -43.86 -32.04 2.11 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-O 121.768 0.649 . . . . 0.0 112.141 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 92' ' ' ASP . 35.0 t70 -96.0 41.11 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.878 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.488 ' CE ' ' CG2' ' A' ' 104' ' ' THR . 1.6 mptp? -26.65 -41.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.483 0.713 . . . . 0.0 112.604 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.4 m-20 -54.01 -16.24 1.82 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.426 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 66.18 42.52 94.28 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.486 -0.388 . . . . 0.0 113.157 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.424 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 11.1 m-20 -96.84 -6.34 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.73 14.65 81.21 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.952 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -158.01 152.42 24.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.205 -179.002 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.4 mt -104.14 111.98 35.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.248 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.27 167.42 26.27 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.519 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.481 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -47.59 -38.42 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.832 0.316 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 101' ' ' GLU . 2.9 pp20? -71.73 -45.37 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.484 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' OE2' ' A' ' 100' ' ' GLU . 2.8 mm-40 -75.01 -22.8 58.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.333 . . . . 0.0 111.214 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -52.18 -36.53 52.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.187 0.518 . . . . 0.0 109.787 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.446 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . 15.4 m -78.08 -30.32 49.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.95 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.488 ' CG2' ' CE ' ' A' ' 91' ' ' LYS . 98.5 m -56.62 -47.66 79.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.179 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.547 ' HB2' ' CA ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -66.77 -23.27 66.06 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.992 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.75 -31.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.38 -31.85 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.181 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 105' ' ' LEU . 6.9 mm-40 -52.13 -72.24 0.06 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.668 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.437 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 26.8 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.483 ' HG2' HD12 ' A' ' 6' ' ' LEU . 11.1 tpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.98 0.419 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.1 p -107.62 -27.41 10.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.47 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.67 -23.31 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.947 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 5' ' ' LEU . 1.4 mm? -107.84 -64.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.63 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.627 HD21 HG12 ' A' ' 43' ' ' VAL . 77.4 mt -78.78 142.13 37.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 p -53.53 110.39 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.79 84.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.594 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 24.5 tt0 -63.98 -50.03 70.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.191 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.24 -54.19 28.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.205 0.526 . . . . 0.0 111.758 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.584 ' HA ' HG23 ' A' ' 33' ' ' VAL . 23.2 mt -56.86 -33.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.987 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -69.97 -45.63 66.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 9' ' ' GLU . 1.3 mtpp -73.08 -52.2 15.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 111.044 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -56.0 -38.83 70.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.786 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 8.8 mt -74.19 -51.38 23.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.99 -4.86 81.56 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.694 -0.765 . . . . 0.0 114.719 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -91.57 -24.21 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.852 0.826 . . . . 0.0 111.995 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.27 105.29 12.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 111.776 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.523 HG23 ' N ' ' A' ' 20' ' ' ALA . 10.7 t -91.83 -47.74 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.522 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.523 ' N ' HG23 ' A' ' 19' ' ' THR . . . -99.18 -45.59 5.85 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 18' ' ' PHE . . . -48.38 -65.86 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -59.29 -29.06 67.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.448 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -54.45 -25.68 26.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.155 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -92.81 -52.88 4.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -145.11 106.93 4.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.778 ' HB2' HD22 ' A' ' 85' ' ' LEU . 2.3 m80 -70.6 -10.92 60.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.466 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HD3' ' HB1' ' A' ' 88' ' ' ALA . 5.6 mmmt -47.77 -53.6 14.85 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.024 0.44 . . . . 0.0 110.41 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 2.6 tpmt? -59.05 -44.11 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 14.3 t80 -57.78 -34.42 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.279 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE1' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -56.0 -28.87 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.004 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' HA ' ' HE2' ' A' ' 36' ' ' LYS . 44.3 mt-30 -84.19 -43.84 14.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.809 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.441 ' C ' ' HB2' ' A' ' 14' ' ' ALA . 19.2 mmt -71.71 -32.72 68.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.417 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.075 HG11 HD12 ' A' ' 35' ' ' LEU . 8.3 p -66.15 -25.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.33 21.6 34.55 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.012 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.075 HD12 HG11 ' A' ' 33' ' ' VAL . 2.7 mt -71.59 -28.97 64.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 31' ' ' GLN . 28.6 mtmt -82.99 -23.14 33.46 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -30.3 11.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 6.0 mmpt? -114.72 -171.68 1.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' OD2' ' A' ' 41' ' ' ASP . 70.3 m -95.32 176.06 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.709 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -55.56 -38.37 69.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 39' ' ' SER . 3.7 p30 -59.4 -49.9 76.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.026 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.469 ' HA ' ' HG3' ' A' ' 45' ' ' LYS . 15.3 m-20 -58.95 -52.34 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.882 0.372 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.627 HG12 HD21 ' A' ' 6' ' ' LEU . 27.8 m -60.79 -38.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.124 0.488 . . . . 0.0 110.361 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 19.2 tttm -59.75 -26.74 65.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.181 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' ' 42' ' ' ASP . 9.4 mttm -55.08 -33.35 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.803 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 43' ' ' VAL . 1.7 p -80.97 -28.5 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.9 t80 -57.54 -35.17 69.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.956 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -72.65 -29.32 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' ' HE3' ' A' ' 52' ' ' LYS . 42.1 mm -70.63 -47.55 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.192 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.9 pp -84.46 -42.39 15.65 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.308 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' N ' HD12 ' A' ' 50' ' ' LEU . 8.3 t70 -87.2 49.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 0.0 111.377 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.78 -51.68 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.134 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.498 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.9 t70 -115.6 22.93 12.75 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.937 ' HE2' HG23 ' A' ' 58' ' ' ILE . 23.7 mmmt -88.48 7.09 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.796 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.0 p 59.22 34.18 23.0 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 98' ' ' GLY . . . 97.45 -9.17 64.65 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.424 -0.894 . . . . 0.0 113.965 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CE2' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -165.65 149.8 8.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.723 0.773 . . . . 0.0 112.335 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.937 HG23 ' HE2' ' A' ' 54' ' ' LYS . 2.2 mp -104.25 147.31 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.073 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.413 ' CG ' ' HD3' ' A' ' 96' ' ' LYS . 9.4 mt-10 -97.96 128.42 44.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.792 0.806 . . . . 0.0 111.426 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 82' ' ' THR . 3.6 pt-20 -33.77 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 113.933 -1.485 . . . . 0.0 112.258 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 20.9 m-20 -70.86 -51.87 23.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 0.0 110.504 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -79.31 -18.11 53.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.503 179.277 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.905 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -49.44 -32.45 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 110.651 179.655 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.418 ' HA2' ' HB2' ' A' ' 77' ' ' LEU . . . -68.54 -20.39 73.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.075 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 37.8 t -86.1 -61.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.64 HG21 HG21 ' A' ' 58' ' ' ILE . 9.2 tp -51.34 -24.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.905 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -45.42 -51.25 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.71 -15.34 0.17 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.35 -52.36 13.83 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.854 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.529 ' O ' HD13 ' A' ' 15' ' ' ILE . 3.0 p90 -98.09 -43.6 6.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.714 0.769 . . . . 0.0 109.374 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' ALA . 2.4 m -73.56 2.39 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.335 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.51 -24.24 0.3 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.914 -0.491 . . . . 0.0 111.715 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.7 -24.03 20.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.843 0.354 . . . . 0.0 111.154 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -110.6 -161.13 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.456 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -79.35 -173.51 3.72 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.284 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.31 -179.93 3.81 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.644 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.776 HD11 HD23 ' A' ' 85' ' ' LEU . 4.3 tp -72.41 108.88 5.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 m -94.96 -175.34 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.47 30.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 110.5 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 84' ' ' THR . 95.7 mttt -56.07 -53.66 54.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.009 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 85' ' ' LEU . 26.9 mt-10 -69.13 -37.61 78.42 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 60' ' ' GLU . 88.5 m -54.54 -50.0 68.93 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.369 -0.933 . . . . 0.0 108.52 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.858 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -77.15 -31.92 55.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.461 177.599 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.7 m -88.21 -58.14 2.67 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.778 HD22 ' HB2' ' A' ' 26' ' ' HIS . 52.1 tp -77.91 -48.98 15.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.464 ' HE3' ' O ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -66.12 -52.11 51.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.596 -179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -61.19 -29.62 69.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.042 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.71 -64.59 1.12 Allowed 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.415 178.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.46 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -45.17 -43.62 9.33 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.676 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 7.0 p-10 -82.41 39.44 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.746 0.419 . . . . 0.0 111.332 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 1.9 tmtp? -28.75 -36.54 0.01 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASP . 5.9 m-20 -55.79 -18.05 7.57 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.07 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.07 52.3 8.02 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.591 -0.337 . . . . 0.0 112.899 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.2 1.27 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.343 0.127 . . . . 0.0 111.343 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.96 10.58 56.43 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.011 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 64.5 mttt -151.23 164.24 37.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.641 -0.28 . . . . 0.0 110.774 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.422 HG23 HD21 ' A' ' 105' ' ' LEU . 31.0 mt -126.03 117.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.645 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -118.27 -177.34 17.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.42 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.64 -33.71 11.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.898 0.38 . . . . 0.0 111.259 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.69 -51.24 23.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.261 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.424 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -73.32 -30.84 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.559 ' HA ' HD11 ' A' ' 105' ' ' LEU . 3.1 t80 -52.56 -25.53 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.469 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -78.43 -38.9 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 91' ' ' LYS . 1.8 m -62.36 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.56 -27.3 10.53 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.053 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.8 t -68.7 -34.43 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.915 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.58 -26.92 37.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.75 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -58.6 -79.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.228 179.732 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 20.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.951 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.584 ' HB2' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.863 0.364 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -96.8 -27.9 14.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.276 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.57 -27.59 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.448 HD12 ' CE ' ' A' ' 2' ' ' MET . 1.4 mt -102.69 -46.22 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.902 ' CD2' HG12 ' A' ' 43' ' ' VAL . 28.3 mt -86.55 143.04 27.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.269 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -53.98 110.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.49 80.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.737 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 12.8 pt-20 -70.26 -48.24 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.272 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 1.3 m-20 -54.67 -52.65 61.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.43 0.633 . . . . 0.0 111.239 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.701 HG22 HD12 ' A' ' 15' ' ' ILE . 9.2 mt -56.33 -53.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.229 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -63.14 -32.95 74.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.524 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mtpt -67.28 -53.78 26.73 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.48 63.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.916 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.701 HD12 HG22 ' A' ' 11' ' ' ILE . 7.8 mt -57.67 -48.37 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.802 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.14 -19.59 69.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.761 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.28 -4.85 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -119.18 96.18 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.7 p -91.44 -48.66 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -99.76 -43.88 6.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.17 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . . . -39.26 -67.4 0.22 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.647 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -72.28 -21.83 61.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.083 0.468 . . . . 0.0 109.959 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.503 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.2 t -50.66 -44.93 57.74 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.85 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 5.7 p90 -96.06 -32.03 12.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.069 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -147.94 95.72 2.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.566 ' ND1' ' CD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -70.92 -19.13 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.223 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -45.7 -53.5 9.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.937 0.399 . . . . 0.0 110.766 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -60.04 -43.21 95.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.459 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 1.8 t80 -59.7 -27.57 66.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.668 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -63.11 -26.89 69.04 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.228 0.537 . . . . 0.0 109.848 177.814 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.52 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.7 mt-30 -85.45 -45.63 11.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 18.2 mmt -72.23 -26.49 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.508 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.56 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 12.1 p -67.67 -24.53 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.57 21.37 40.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.455 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -73.98 -36.95 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.651 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.8 mtpp -75.4 -23.14 57.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.748 178.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -43.26 -41.82 4.1 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.338 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 5' ' ' LEU . 11.0 ttmt -101.32 -144.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.865 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.685 ' O ' HG22 ' A' ' 43' ' ' VAL . 64.8 m -118.79 160.93 20.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -50.67 -27.56 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.53 -56.74 7.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 7.8 m-20 -60.53 -48.48 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 111.035 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.902 HG12 ' CD2' ' A' ' 6' ' ' LEU . 16.9 m -61.79 -36.89 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 109.78 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 28.2 mttt -54.57 -29.32 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.307 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB2' HD13 ' A' ' 5' ' ' LEU . 18.3 mmtp -55.73 -41.66 74.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.028 -177.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.9 p -57.3 -26.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.473 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 23.6 t80 -49.46 -45.01 46.16 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -69.19 -29.44 67.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 0.0 109.78 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.5 mm -69.53 -50.71 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.748 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -86.61 -30.67 21.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.533 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HA ' ' CG ' ' A' ' 54' ' ' LYS . 11.0 t70 -95.25 44.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 21.4 ptmt -70.23 -49.09 53.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.645 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 4.9 p-10 -113.5 -2.98 13.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.867 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 39.1 mmtm -59.47 -16.35 23.49 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.139 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 14.4 t 77.64 34.92 0.33 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.767 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.85 -9.21 57.35 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.464 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 86.6 m-85 -134.87 135.5 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.004 0.402 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.567 ' CG2' HD22 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -104.56 120.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.163 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.9 mt-10 -103.46 133.12 49.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.808 -177.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -34.46 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.599 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' GLU . 7.1 m-20 -65.36 -51.34 61.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -88.11 -21.34 24.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.232 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.8 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.9 -48.46 60.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.907 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.848 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -66.06 -26.39 72.38 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.865 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 34.2 t -80.88 -60.42 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.339 0.59 . . . . 0.0 109.425 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.475 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.8 tp -51.5 -22.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.174 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -46.15 -49.67 16.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.6 -13.02 0.11 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.13 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.05 21.04 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 119.534 -1.317 . . . . 0.0 110.484 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.537 ' CE2' HD13 ' A' ' 67' ' ' LEU . 1.1 p90 -98.15 -46.02 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.77 0.795 . . . . 0.0 109.229 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.4 m -71.02 2.13 4.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.065 -1.425 . . . . 0.0 113.696 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.3 p -44.93 -25.52 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.403 0.547 . . . . 0.0 111.582 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.4 m-20 -103.63 34.62 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.597 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -171.69 -158.88 0.14 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.332 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' SER . 31.5 mmt180 -84.4 -172.45 4.17 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.869 0.366 . . . . 0.0 111.467 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -119.55 -163.39 0.98 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.848 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -96.36 127.16 42.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' THR . 46.7 t -105.85 -169.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.0 111.045 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -48.73 -51.14 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 97.9 mttt -55.72 -44.24 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.795 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.3 mt-10 -75.24 -27.22 59.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 86' ' ' MET . 96.0 m -63.57 -48.94 75.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.834 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.2 mmmm -75.89 -32.57 59.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.832 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.553 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 91.3 m -87.95 -57.6 2.88 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.517 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 9.4 tp -78.26 -50.72 11.33 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.545 ' HA ' HD11 ' A' ' 97' ' ' ILE . 7.0 ttp -65.81 -47.98 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.108 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -67.23 -36.96 82.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.97 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -59.39 -61.14 2.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.589 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.458 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -55.78 -42.45 85.61 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.477 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.467 ' HA ' ' CG ' ' A' ' 101' ' ' GLU . 25.3 t70 -96.32 38.63 1.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.851 ' CD ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -31.56 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ASP . 17.1 m-20 -57.83 -18.81 24.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.266 0.485 . . . . 0.0 111.097 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.5 64.13 2.33 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.571 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.34 -7.56 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' A' ' 86' ' ' MET . . . 87.33 -7.7 79.76 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.111 -1.042 . . . . 0.0 112.9 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -146.86 154.81 41.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.565 0.346 . . . . 0.0 110.274 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.545 HD11 ' HA ' ' A' ' 86' ' ' MET . 57.2 mt -104.13 112.27 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.514 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 102' ' ' PHE . . . -88.67 -176.4 46.97 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.755 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.473 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 12.6 p -65.68 -31.69 54.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.634 0.254 . . . . 0.0 111.367 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -72.42 -54.05 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 110.578 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.16 -26.73 65.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.34 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 98' ' ' GLY . 24.1 t80 -52.57 -28.66 21.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.01 0.434 . . . . 0.0 109.906 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.431 ' OG ' ' CB ' ' A' ' 40' ' ' ALA . 43.8 t -77.1 -36.46 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.086 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.851 HG21 ' CD ' ' A' ' 91' ' ' LYS . 70.5 m -60.45 -32.76 71.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.756 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.629 HD13 ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -58.21 -35.08 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.53 -35.26 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.76 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.536 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.36 -69.24 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.211 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.579 ' CE ' HD13 ' A' ' 5' ' ' LEU . 5.5 mmt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.797 0.332 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.2 p -127.95 -40.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.373 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -84.87 -23.8 28.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 5' ' ' LEU . 2.9 mp -100.25 -70.18 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.844 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.806 HD21 HG12 ' A' ' 43' ' ' VAL . 63.1 mt -75.82 147.01 39.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.254 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.593 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.35 109.32 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.844 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.01 89.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.175 0.512 . . . . 0.0 110.875 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 25.6 tt0 -57.51 -41.51 80.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 1.5 m-20 -69.78 -52.27 26.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.435 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 7' ' ' SER . 7.4 mt -53.97 -34.73 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.374 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -70.09 -51.47 31.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.812 0.339 . . . . 0.0 110.617 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HE3' ' HG3' ' A' ' 9' ' ' GLU . 31.8 mttt -69.46 -52.23 28.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.319 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.49 68.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.736 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.568 HD13 ' O ' ' A' ' 70' ' ' PHE . 12.0 mt -66.94 -50.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.231 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.68 -4.47 72.91 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.603 -0.808 . . . . 0.0 114.111 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -81.43 -48.84 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.362 0.581 . . . . 0.0 111.891 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -136.68 63.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 112.032 -179.229 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 74' ' ' ALA . 68.4 p -50.49 -47.42 57.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.265 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -45.72 -51.65 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.331 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 18' ' ' PHE . . . -51.45 -49.27 62.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.293 0.568 . . . . 0.0 109.883 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -66.16 -32.75 74.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.884 178.232 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.4 t -56.93 -54.26 48.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 25.4 p90 -96.2 -8.92 31.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.442 ' CA ' ' OE2' ' A' ' 81' ' ' GLU . 2.3 m-20 -170.35 92.74 0.2 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.536 ' H ' HD21 ' A' ' 85' ' ' LEU . 67.9 m-70 -70.16 -14.57 62.7 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.568 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -49.7 -52.0 34.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.702 0.287 . . . . 0.0 110.577 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -59.29 -47.17 86.38 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.694 ' O ' HG12 ' A' ' 33' ' ' VAL . 36.0 t80 -54.76 -36.2 64.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.426 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -52.65 -32.24 41.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.264 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.1 mt-30 -83.77 -45.42 13.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.047 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.453 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -72.39 -34.38 67.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.708 HG11 HD12 ' A' ' 35' ' ' LEU . 14.5 p -64.65 -21.21 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.698 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.67 58.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.772 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.708 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -63.66 -33.6 75.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.7 mtpp -81.94 -23.13 36.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.584 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 2.8 tmtp? -48.44 -42.46 32.46 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.135 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 10.0 mmpt? -101.33 -179.86 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.899 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -86.99 162.57 17.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.279 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -50.49 -30.39 12.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.794 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 8.3 m-20 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' CB ' ' HB3' ' A' ' 38' ' ' LYS . 8.1 m-20 -62.37 -52.92 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.806 HG12 HD21 ' A' ' 6' ' ' LEU . 35.9 m -57.7 -38.49 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.622 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 72.8 mttt -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.466 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 1.2 mptm? -58.77 -53.12 61.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.108 0.48 . . . . 0.0 110.126 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 43' ' ' VAL . 2.3 p -51.7 -25.83 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.979 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.515 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 36.4 t80 -51.84 -61.74 2.07 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.455 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -64.72 -33.04 75.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.7 mt -53.49 -49.04 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.612 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.567 HD11 ' OD2' ' A' ' 51' ' ' ASP . 3.9 pp -87.88 -30.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.921 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.567 ' OD2' HD11 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -120.13 58.93 0.9 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.177 -0.327 . . . . 0.0 110.987 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -35.1 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.587 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -114.13 26.06 10.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.761 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 71.4 mmtt -97.36 -3.11 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 10.9 t 76.19 11.65 2.86 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.15 16.3 35.72 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.378 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -155.67 135.13 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.589 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.591 ' CG2' HD22 ' A' ' 63' ' ' LEU . 3.4 mt -104.91 138.11 31.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.355 0.598 . . . . 0.0 110.885 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 62' ' ' GLU . 3.4 mm-40 -105.65 129.0 53.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.241 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -34.92 -32.71 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.471 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.7 m-20 -66.56 -50.46 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 109.997 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 15.8 mm-40 -85.68 -19.55 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.526 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.591 HD22 ' CG2' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -52.3 -53.5 43.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.037 0.446 . . . . 0.0 110.42 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.769 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -60.88 -21.3 58.5 Favored Glycine 0 C--N 1.318 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.171 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.539 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.3 m -82.78 -61.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.482 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 5.5 tp -54.26 -18.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.438 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -44.13 -49.08 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.267 179.126 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -51.36 -16.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.308 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.62 -49.63 15.81 Favored Glycine 0 C--N 1.341 0.812 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.331 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.568 ' O ' HD13 ' A' ' 15' ' ' ILE . 9.8 p90 -96.77 -51.07 4.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 78.7 p -67.63 2.96 1.56 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 113.985 -1.461 . . . . 0.0 114.478 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.3 p -44.83 -24.57 0.22 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.728 0.695 . . . . 0.0 111.504 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.26 -26.02 16.11 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 110.639 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.485 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -108.33 -166.97 1.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' SER . 99.5 mtt180 -83.95 -179.98 7.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.004 0.431 . . . . 0.0 111.736 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 67' ' ' LEU . 8.7 m-20 -93.02 -170.22 2.36 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.403 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.769 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.2 OUTLIER -93.04 136.54 33.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.4 p -105.52 -175.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.61 -50.22 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.146 0.498 . . . . 0.0 110.81 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 84' ' ' THR . 6.6 mtpm? -50.57 -51.97 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.55 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.9 mm-40 -71.5 -32.45 68.23 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.451 ' OG1' HD11 ' A' ' 77' ' ' LEU . 35.0 m -55.65 -49.21 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.761 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 5.1 mmpt? -76.94 -43.21 36.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.084 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 86.6 m -74.55 -54.97 6.45 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -175.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD21 ' H ' ' A' ' 26' ' ' HIS . 3.6 mm? -73.85 -43.24 59.27 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.515 ' HE1' HD23 ' A' ' 63' ' ' LEU . 14.2 mtp -72.75 -50.94 21.29 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.379 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -62.85 -30.2 71.33 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.944 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -70.13 -58.3 3.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.707 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.46 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -56.32 -35.76 66.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.294 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.0 p30 -95.01 38.79 1.12 Allowed 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 122.407 0.283 . . . . 0.0 110.718 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.781 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.32 -36.21 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -178.555 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -57.27 -18.33 16.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.717 0.294 . . . . 0.0 111.42 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.26 60.09 2.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 116.395 -0.366 . . . . 0.0 112.888 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -113.61 -9.54 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.15 -26.12 9.23 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.212 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -126.35 157.25 38.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.546 0.338 . . . . 0.0 110.263 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 86' ' ' MET . 33.0 mt -106.3 112.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.045 0.45 . . . . 0.0 111.616 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.83 25.83 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.743 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.515 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 10.8 p -47.86 -35.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.493 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -72.74 -54.35 9.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.47 0.652 . . . . 0.0 110.158 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -59.61 -32.72 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.11 -179.654 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -52.2 -25.43 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.197 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.3 p -70.27 -45.1 67.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.781 HG21 ' CB ' ' A' ' 91' ' ' LYS . 88.1 m -58.19 -38.53 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.219 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.736 HD13 ' CE2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -53.01 -36.71 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.414 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.82 -42.14 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.37 -26.57 46.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.55 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -57.39 -69.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.755 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 7.2 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.523 ' SD ' HD12 ' A' ' 5' ' ' LEU . 6.1 tpp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.847 0.356 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.526 HG23 ' HB2' ' A' ' 8' ' ' ALA . 92.9 m -110.28 -43.95 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.04 -17.4 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.523 HD12 ' SD ' ' A' ' 2' ' ' MET . 3.5 mt -108.21 -70.77 0.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.191 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.599 HD21 HG12 ' A' ' 43' ' ' VAL . 56.6 mt -84.8 140.93 30.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 11' ' ' ILE . 7.2 p -52.65 110.21 0.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.526 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -63.98 -44.22 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.35 -41.67 84.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 11.0 t0 -56.01 -52.54 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.595 ' HA ' HG23 ' A' ' 33' ' ' VAL . 10.8 mt -56.53 -53.69 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.134 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.49 -45.14 94.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.477 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.643 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 15.6 mtpp -64.08 -52.44 59.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.284 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 32' ' ' MET . . . -66.06 -44.05 85.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.779 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.581 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 8.7 mt -54.47 -48.65 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -9.13 58.05 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.593 -0.813 . . . . 0.0 114.146 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -64.78 -57.07 9.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.512 0.656 . . . . 0.0 111.688 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -134.17 70.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.8 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 p -41.73 -34.73 0.66 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 111.422 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -49.49 -43.67 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 18' ' ' PHE . . . -48.76 -64.97 0.65 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.074 0.464 . . . . 0.0 110.024 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.16 -22.54 66.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.686 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 3.3 t -61.78 -53.92 49.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.725 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 26.3 p90 -95.47 -41.18 9.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.471 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.6 m-20 -152.6 107.75 3.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 111.761 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.536 ' HB3' HD22 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -69.86 -14.32 62.69 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 26.3 mmmt -50.7 -51.09 52.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -59.71 -44.21 93.79 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 33' ' ' VAL . 27.7 t80 -57.27 -37.0 71.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.218 178.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HZ ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.6 -28.47 21.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.194 0.521 . . . . 0.0 109.691 178.725 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 37.2 mt-30 -83.31 -49.05 9.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.17 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 14.0 mmt -71.67 -27.73 63.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.899 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.045 HG11 HD12 ' A' ' 35' ' ' LEU . 14.2 p -70.59 -24.98 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.425 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' OD2' ' A' ' 10' ' ' ASP . . . 89.27 20.53 45.09 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.598 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.045 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -70.84 -26.98 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.255 0.55 . . . . 0.0 109.732 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.3 mtpp -83.77 5.95 23.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.705 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -52.14 -55.33 21.64 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 110.719 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -124.63 -173.21 2.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.281 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 m -55.1 173.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -67.24 -20.13 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -63.07 -44.87 94.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 5.0 m-20 -61.03 -52.53 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.709 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.599 HG12 HD21 ' A' ' 6' ' ' LEU . 28.6 m -61.04 -42.1 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.306 0.574 . . . . 0.0 110.423 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 43' ' ' VAL . 34.8 ttmt -52.47 -30.3 29.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.754 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CB ' HD13 ' A' ' 5' ' ' LEU . 1.7 mptm? -58.9 -45.29 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.777 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 43' ' ' VAL . 1.5 p -62.58 -27.43 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CD1' ' CE1' ' A' ' 102' ' ' PHE . 10.0 t80 -60.79 -30.5 70.09 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -72.35 -30.73 65.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.51 -48.51 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.206 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.0 pp -86.44 -35.18 19.84 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.424 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 47' ' ' PHE . 11.7 t70 -106.42 52.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.664 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.6 -54.33 12.43 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.512 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 4.0 p30 -116.62 23.17 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' PHE . 26.6 tptp -84.28 -1.54 55.47 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 8.4 t 82.83 15.06 0.38 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 -13.36 54.35 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.397 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 86.6 m-85 -128.33 127.52 42.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.689 ' HB ' HD21 ' A' ' 63' ' ' LEU . 7.3 mt -104.14 142.22 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.419 0.628 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -104.68 142.4 34.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.514 -176.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.726 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.8 pt-20 -38.13 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.344 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 m-20 -69.15 -51.78 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.66 0.267 . . . . 0.0 111.195 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.3 mp0 -85.27 -26.76 26.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 110.094 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.738 ' O ' HD23 ' A' ' 67' ' ' LEU . 16.0 mt -46.67 -49.8 18.75 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.685 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -68.37 -26.48 74.24 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.512 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 54.6 m -82.56 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 0.0 109.574 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.77 HG22 ' O ' ' A' ' 62' ' ' GLU . 7.5 tp -56.72 -16.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.955 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.884 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -61.12 -44.4 97.4 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -59.51 -8.3 1.82 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.572 -0.451 . . . . 0.0 112.151 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 68' ' ' LYS . . . -49.22 -43.68 33.71 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.422 -1.37 . . . . 0.0 110.12 176.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.884 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.5 p90 -97.31 -47.83 5.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.224 0.535 . . . . 0.0 109.681 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' ALA . 7.7 m -71.07 -0.14 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.505 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.9 p -46.49 -25.25 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -96.76 27.66 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.229 0.538 . . . . 0.0 110.572 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -150.47 -79.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.269 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 23' ' ' SER . 13.3 ptp180 -170.18 -158.59 0.17 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.04 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -111.7 -173.55 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.339 0.59 . . . . 0.0 112.106 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.499 ' HB3' ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -117.79 84.65 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.966 -179.594 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.0 p -69.99 -173.72 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.74 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -48.63 29.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.288 0.566 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.8 ttmt -50.16 -52.98 30.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.235 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 84' ' ' THR . 3.4 mm-40 -71.02 -30.82 67.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.673 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 86' ' ' MET . 62.8 m -61.5 -48.73 79.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 15.7 mmtp -75.33 -28.48 59.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.145 177.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.481 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 86.8 m -87.51 -57.49 2.93 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 26' ' ' HIS . 46.3 tp -81.66 -52.03 7.59 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.727 ' HG2' HD13 ' A' ' 63' ' ' LEU . 9.3 tpp -60.92 -51.47 69.13 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.304 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -54.63 -25.81 28.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.687 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' A' ' 27' ' ' LYS . . . -78.04 -59.37 2.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.235 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.656 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -50.25 -44.63 43.9 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.622 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.4 p30 -89.79 38.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.541 0.336 . . . . 0.0 110.239 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -30.05 -34.5 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.533 1.133 . . . . 0.0 113.451 -178.706 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.4 m-20 -54.71 -19.97 7.34 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.636 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.07 50.78 3.36 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 116.278 -0.419 . . . . 0.0 113.621 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -113.3 -10.59 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.8 0.3 . . . . 0.0 111.417 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.39 -14.47 28.76 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.57 -0.824 . . . . 0.0 114.436 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 80.7 mttt -121.58 142.55 50.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.823 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 105' ' ' LEU . 27.6 mt -105.48 140.46 23.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' HA2' ' CZ ' ' A' ' 47' ' ' PHE . . . -146.4 -171.78 16.1 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.956 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.4 t -48.28 -61.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 0.0 110.988 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.6 -51.24 67.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.235 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -29.24 69.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.953 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.681 ' CD1' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -54.63 -22.58 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -73.84 -42.77 60.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.069 0.461 . . . . 0.0 109.862 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 91' ' ' LYS . 40.6 m -61.5 -42.13 98.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.571 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.681 HD11 ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -52.94 -28.26 22.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.559 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.3 t -68.84 -37.96 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.012 0.434 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.45 -22.92 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.883 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.417 ' OE1' ' CA ' ' A' ' 88' ' ' ALA . 12.5 mm-40 -64.96 -72.11 0.16 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.162 0.506 . . . . 0.0 111.354 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 3.3 t . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.492 ' HE2' HG21 ' A' ' 46' ' ' VAL . 3.6 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.453 HG23 ' HB2' ' A' ' 8' ' ' ALA . 60.9 m -100.33 -34.49 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.9 -22.63 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 45' ' ' LYS . 24.8 mt -85.5 -64.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.154 0.502 . . . . 0.0 111.101 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.846 ' HB2' HD11 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -89.12 173.07 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.414 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.84 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.4 m -76.02 110.36 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.143 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -57.25 -36.29 70.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.455 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.13 -44.83 71.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -62.19 -52.6 63.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 111.674 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.846 HD11 ' HB2' ' A' ' 6' ' ' LEU . 4.4 mt -55.5 -51.33 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -58.36 -49.38 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.406 . . . . 0.0 110.547 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 80.1 mttt -63.27 -50.05 71.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HB1' ' HD1' ' A' ' 29' ' ' PHE . . . -66.02 -51.84 54.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.979 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 70' ' ' PHE . 8.2 mt -55.92 -35.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.669 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.07 -45.39 3.87 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.283 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -62.99 -20.98 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' HB3' ' CB ' ' A' ' 22' ' ' ASP . 11.3 m-85 -89.82 99.45 12.45 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 20' ' ' ALA . 9.3 t -91.5 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.535 ' N ' HG23 ' A' ' 19' ' ' THR . . . -99.69 -56.58 2.35 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.391 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -42.53 -66.36 0.37 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 111.799 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.619 ' OD1' ' CE1' ' A' ' 26' ' ' HIS . 9.7 t70 -61.88 -19.63 62.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -67.63 -52.94 32.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.561 179.44 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 31.5 p90 -96.74 -11.17 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HA ' ' OE1' ' A' ' 81' ' ' GLU . 38.0 t70 -164.03 95.73 0.78 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.619 ' CE1' ' OD1' ' A' ' 22' ' ' ASP . 40.9 m-70 -71.35 -12.68 61.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.84 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' HD11 ' A' ' 85' ' ' LEU . 1.2 mtpp -46.9 -54.1 10.73 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.273 -0.267 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.06 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' ' 33' ' ' VAL . 21.2 t80 -51.93 -33.29 36.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.819 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.737 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.32 -33.58 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.841 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.642 ' HB2' ' HE3' ' A' ' 32' ' ' MET . 21.1 mt-30 -84.0 -42.94 15.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.642 ' HE3' ' HB2' ' A' ' 31' ' ' GLN . 20.9 mmt -72.15 -33.43 67.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.567 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.815 HG11 HD12 ' A' ' 35' ' ' LEU . 13.2 p -66.04 -23.88 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.173 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.83 13.53 49.79 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.815 HD12 HG11 ' A' ' 33' ' ' VAL . 2.0 mt -63.81 -33.16 75.05 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.4 mtpp -90.01 -15.72 31.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.494 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HD2' ' OG ' ' A' ' 7' ' ' SER . 61.1 tttp -38.62 -35.54 0.2 Allowed 'General case' 0 C--N 1.34 0.185 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -121.31 -99.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -146.31 178.88 7.91 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.79 0.328 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -65.4 -28.85 69.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.183 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 3.0 p30 -63.92 -50.16 69.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 11.8 m-20 -55.37 -52.63 62.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.26 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.697 HG12 HD23 ' A' ' 35' ' ' LEU . 27.8 m -61.0 -35.42 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.366 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.0 ttpt -50.38 -29.68 10.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.415 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HE2' ' CA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -56.78 -50.76 71.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.426 -178.376 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 43' ' ' VAL . 2.0 p -55.12 -27.56 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.96 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.501 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 31.5 t80 -51.73 -49.27 62.87 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.482 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -67.62 -27.47 66.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.318 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -69.31 -49.36 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.47 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 58' ' ' ILE . 4.6 pp -88.07 -26.42 22.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.914 -178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t70 -90.21 -2.76 58.08 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 49.5 pttt -47.06 -38.46 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 28.8 m-20 -110.23 26.27 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.409 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 71.8 mmtt -115.81 10.47 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.795 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.6 p 57.39 17.34 3.71 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.424 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . 101.29 -4.54 55.02 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.258 -0.973 . . . . 0.0 113.894 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 37.1 m-85 -138.88 133.11 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.31 0.555 . . . . 0.0 111.611 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 50' ' ' LEU . 2.2 mt -103.0 129.79 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 63' ' ' LEU . 11.4 tt0 -103.35 145.89 29.29 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.834 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HA ' ' HG3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -45.2 -45.52 11.72 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.57 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.36 -51.23 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.076 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 66' ' ' ILE . 44.7 mt-10 -78.06 -13.21 59.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.893 ' CD1' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -57.59 -42.93 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.306 -179.236 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.578 ' CA ' HD23 ' A' ' 77' ' ' LEU . . . -65.64 -25.48 71.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.69 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 m -81.94 -58.25 3.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.217 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.6 tp -61.85 -16.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.583 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.893 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -56.78 -32.11 65.32 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.458 0.646 . . . . 0.0 110.686 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.53 -21.76 1.06 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.957 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.61 -53.6 7.0 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.636 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.632 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -96.97 -41.61 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.51 178.37 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.513 ' HG ' ' C ' ' A' ' 67' ' ' LEU . 28.4 p -70.5 0.47 6.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.821 -1.081 . . . . 0.0 113.157 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.0 t -46.06 -25.76 0.63 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 122.083 -0.386 . . . . 0.0 111.071 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 7.7 t70 -90.7 -30.21 17.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.058 0.456 . . . . 0.0 110.141 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -91.73 -152.61 0.3 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.413 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -91.99 -91.25 0.16 Allowed 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.324 -0.235 . . . . 0.0 111.411 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p30 168.5 139.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 111.456 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.578 HD23 ' CA ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER -46.95 92.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.423 178.669 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.8 p -75.83 -171.96 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 83' ' ' LYS . . . -47.6 -50.43 24.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.094 0.473 . . . . 0.0 110.852 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 84' ' ' THR . 54.8 mtmt -50.62 -53.94 26.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.302 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.5 mm-40 -72.19 -26.64 62.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 52.0 m -61.72 -52.29 64.88 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.211 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.859 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -77.76 -28.19 50.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.441 177.61 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.462 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 87.8 m -87.98 -57.33 2.97 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 27' ' ' LYS . 3.7 mm? -77.73 -49.24 14.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.478 ' HE3' ' O ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -65.81 -50.9 62.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.388 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -60.66 -31.7 70.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.139 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -81.78 -59.18 2.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.726 0.298 . . . . 0.0 110.22 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.589 ' CA ' HD13 ' A' ' 105' ' ' LEU . . . -48.36 -35.39 14.99 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.446 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.4 p-10 -95.59 38.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.587 ' HB3' HG21 ' A' ' 104' ' ' THR . 1.3 tmtm? -29.1 -35.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.543 1.137 . . . . 0.0 113.751 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' ASP . 18.1 t70 -55.34 -19.04 7.64 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.021 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 57.9 3.26 Favored Glycine 0 C--N 1.335 0.503 0 C-N-CA 121.544 -0.36 . . . . 0.0 113.281 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.6 -9.73 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 78.06 -4.5 57.94 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.326 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -140.43 147.27 39.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 90' ' ' ASP . 40.1 mt -104.97 113.53 42.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.961 0.41 . . . . 0.0 111.245 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.48 171.7 17.68 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.501 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 7.9 p -47.71 -39.33 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.66 -48.53 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -32.74 72.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.42 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -52.68 -30.45 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.0 t -69.97 -43.06 72.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.587 HG21 ' HB3' ' A' ' 91' ' ' LYS . 32.2 m -57.88 -36.66 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.073 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.677 HD21 ' CE1' ' A' ' 30' ' ' PHE . 11.0 tp -59.02 -36.52 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.16 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.94 -35.31 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.908 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.71 -37.71 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.668 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 15.9 mm-40 -49.87 -71.01 0.07 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 110.648 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.461 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 7.5 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.534 ' HG2' HD12 ' A' ' 6' ' ' LEU . 9.4 tpt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.499 HG22 ' CB ' ' A' ' 8' ' ' ALA . 25.2 p -96.99 -21.48 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.494 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.438 ' C ' HD22 ' A' ' 5' ' ' LEU . 9.0 m-20 -69.56 -35.27 75.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 42' ' ' ASP . 1.6 mm? -101.0 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.743 HD21 HG12 ' A' ' 43' ' ' VAL . 68.8 mt -74.41 137.88 42.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.0 p -54.47 110.3 0.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.499 ' CB ' HG22 ' A' ' 3' ' ' THR . . . -60.58 -41.7 95.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.485 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -64.76 -48.94 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.13 -53.22 59.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.418 0.628 . . . . 0.0 111.531 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.713 HD11 ' CB ' ' A' ' 6' ' ' LEU . 10.5 mt -55.76 -53.38 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.201 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.99 -33.37 71.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HD3' ' HG2' ' A' ' 9' ' ' GLU . 16.2 mtpp -73.45 -52.53 13.35 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.386 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -34.29 75.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.732 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' A' ' 74' ' ' ALA . 10.7 mt -73.7 -41.89 54.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.475 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.68 -4.64 59.09 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.617 -0.801 . . . . 0.0 114.485 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -90.55 -50.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.909 0.855 . . . . 0.0 112.636 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -133.79 63.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.436 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.5 p -41.98 -37.53 1.37 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -46.7 -38.77 10.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.909 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.519 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -51.73 -66.47 0.38 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.063 0.458 . . . . 0.0 109.837 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.49 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 14.4 t70 -59.76 -21.05 60.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.618 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.5 t -66.92 -58.28 5.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 36.0 p90 -95.79 -39.58 9.78 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.5 m-20 -148.34 98.74 2.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 111.47 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.789 ' H ' HD21 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -70.07 -18.99 63.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.91 -52.11 15.25 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.099 -0.376 . . . . 0.0 110.15 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE3' ' CA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -60.65 -46.8 88.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.136 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 1.6 t80 -55.36 -29.43 58.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.172 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.644 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -64.45 -27.4 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.82 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 48.2 mt-30 -83.16 -52.72 6.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.751 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.447 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 22.4 mtt -68.64 -29.37 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 111.238 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.988 HG11 HD12 ' A' ' 35' ' ' LEU . 11.3 p -65.86 -24.55 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 87.27 24.13 38.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.665 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.988 HD12 HG11 ' A' ' 33' ' ' VAL . 3.9 mt -70.09 -27.97 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.155 0.503 . . . . 0.0 109.766 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -92.28 -6.8 49.67 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 178.674 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -44.05 -28.39 0.48 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -133.93 -100.99 0.25 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.489 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB2' ' OD2' ' A' ' 41' ' ' ASP . 61.2 m -146.22 179.18 7.68 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.799 0.333 . . . . 0.0 111.367 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -62.7 -31.75 72.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 39' ' ' SER . 2.8 p30 -63.97 -36.94 85.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.677 ' HA ' HD12 ' A' ' 5' ' ' LEU . 7.6 m-20 -69.81 -52.48 24.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.576 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.743 HG12 HD21 ' A' ' 6' ' ' LEU . 35.4 m -61.0 -36.12 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.7 mttm -52.01 -27.14 12.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.182 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' CG ' ' HG ' ' A' ' 5' ' ' LEU . 14.2 mptt -56.12 -29.37 60.59 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.048 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.06 -33.37 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.4 t80 -55.75 -33.84 64.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.058 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.403 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 39.8 t-80 -72.32 -27.29 62.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 45' ' ' LYS . 23.4 mm -78.17 -49.36 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.2 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.778 HD21 ' HA3' ' A' ' 69' ' ' GLY . 16.1 mt -79.07 -41.72 28.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.935 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.531 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . 12.1 t70 -106.73 47.75 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.98 -49.77 41.67 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.7 p30 -115.62 19.65 15.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HD3' HG23 ' A' ' 58' ' ' ILE . 48.2 mttm -90.73 12.32 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m 66.19 34.86 6.4 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.03 3.84 57.38 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.375 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.405 ' CD1' ' HA3' ' A' ' 98' ' ' GLY . 86.9 m-85 -139.9 134.32 31.45 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.757 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.664 ' HB ' HD22 ' A' ' 63' ' ' LEU . 10.8 mt -104.4 142.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.879 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.4 mt-10 -103.39 133.19 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.813 0.816 . . . . 0.0 111.805 -177.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HA ' ' CE ' ' A' ' 86' ' ' MET . 2.0 pt-20 -33.93 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.176 -1.375 . . . . 0.0 113.086 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.2 m-20 -70.1 -52.01 27.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.533 ' O ' HG22 ' A' ' 66' ' ' ILE . 14.7 mm-40 -83.75 -17.65 40.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.787 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -51.55 -54.55 26.22 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.406 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' ASP . . . -67.03 -19.69 70.17 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.239 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -87.95 -55.96 3.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.525 0.679 . . . . 0.0 109.898 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 62' ' ' GLU . 3.7 tp -64.3 -17.75 21.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.872 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.86 HD13 HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -53.42 -22.87 8.44 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.263 0.554 . . . . 0.0 110.708 178.784 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 72' ' ' SER . 47.7 mtpt -49.31 -18.99 0.43 Allowed 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.995 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.778 ' HA3' HD21 ' A' ' 50' ' ' LEU . . . -41.58 -50.56 4.8 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.034 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.71 -53.3 3.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.641 0.734 . . . . 0.0 109.773 177.117 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 p -70.82 1.84 4.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.7 p -44.79 -23.9 0.17 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.369 0.531 . . . . 0.0 111.877 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -120.53 51.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.842 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -162.58 -91.45 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -150.38 -170.52 3.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.73 0.3 . . . . 0.0 111.304 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 4.5 p-10 -128.14 150.12 50.12 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.119 0.485 . . . . 0.0 111.959 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.071 HD11 ' HE3' ' A' ' 86' ' ' MET . 0.1 OUTLIER -68.75 112.89 5.75 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.974 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' THR . 39.3 t -102.59 -165.21 1.16 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.738 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -52.21 20.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.498 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -53.19 -47.82 68.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.206 0.527 . . . . 0.0 110.097 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.816 ' HB2' HD12 ' A' ' 77' ' ' LEU . 2.0 mm-40 -72.47 -24.93 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.669 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' SER . 36.3 m -61.95 -50.73 70.97 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.788 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 10.8 mtpp -76.92 -30.3 56.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.043 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.489 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 58.5 m -87.35 -56.6 3.29 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD21 ' H ' ' A' ' 26' ' ' HIS . 3.5 mm? -80.48 -53.15 6.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . 1.071 ' HE3' HD11 ' A' ' 77' ' ' LEU . 32.9 mtt -61.01 -50.95 71.3 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 119.131 -1.028 . . . . 0.0 110.183 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -58.17 -25.58 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.004 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -82.2 -65.45 1.01 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.004 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -52.37 -34.31 41.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.662 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' ASP . 39.2 t0 -95.19 38.22 1.14 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.051 -0.575 . . . . 0.0 110.973 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.835 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -31.16 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.518 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.9 t70 -56.34 -19.84 16.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.536 0.208 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.47 48.97 5.1 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.757 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -113.84 -10.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.105 0.453 . . . . 0.0 111.745 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.418 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 87.42 -25.07 8.51 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.394 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 73.9 mttt -115.2 144.53 43.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.409 0.284 . . . . 0.0 110.51 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.426 HG12 ' HB2' ' A' ' 90' ' ' ASP . 36.5 mt -105.0 111.76 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.345 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 57' ' ' PHE . . . -93.61 -160.8 35.27 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.653 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.487 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 9.9 p -68.42 -37.91 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.751 0.31 . . . . 0.0 111.248 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.475 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -72.93 -53.49 11.16 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.375 0.607 . . . . 0.0 110.252 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.413 ' HG2' ' OD1' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -54.59 -38.04 66.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.399 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.11 -25.45 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 109.952 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.8 m -73.24 -45.49 55.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.327 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.835 HG21 ' CB ' ' A' ' 91' ' ' LYS . 89.0 m -57.63 -36.91 72.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 110.438 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.644 HD13 ' CE2' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -55.58 -37.4 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.36 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.96 -37.48 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.347 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.0 -27.95 39.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.389 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.83 -69.97 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.784 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.44 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.546 ' HG2' HD12 ' A' ' 6' ' ' LEU . 9.7 tpt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.975 0.417 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 8' ' ' ALA . 92.8 m -116.54 -27.13 6.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.593 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.525 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 5.4 mp -109.92 -66.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.353 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.546 HD12 ' HG2' ' A' ' 2' ' ' MET . 76.9 mt -73.98 137.42 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.344 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.401 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 19.7 m -64.2 111.11 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.841 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.439 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -52.58 -27.07 15.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.223 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.467 ' HG3' ' HD3' ' A' ' 13' ' ' LYS . 4.3 tp10 -69.29 -48.73 60.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.508 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 0.9 OUTLIER -59.3 -53.28 60.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.521 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 6' ' ' LEU . 25.7 mt -56.13 -53.25 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -59.62 -31.81 69.84 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.16 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 38.8 mtpt -70.94 -53.28 15.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.163 0.506 . . . . 0.0 110.763 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -69.35 -40.57 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.764 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 1.064 HG23 ' HB2' ' A' ' 74' ' ' ALA . 10.5 mm -55.77 -48.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.433 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.63 -38.99 4.53 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 115.345 0.898 . . . . 0.0 115.345 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -36.77 -43.02 0.41 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.947 ' CD1' ' HB3' ' A' ' 21' ' ' ALA . 6.2 p90 -118.12 146.91 43.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.368 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 m -93.47 -49.75 5.76 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -98.68 -13.1 20.44 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.947 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . . . -46.7 -44.14 18.42 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.661 0.664 . . . . 0.0 111.474 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.564 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 7.2 p-10 -70.03 -33.01 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.2 t -69.96 -28.39 65.52 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.558 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 91.9 t80 -95.85 -55.77 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.421 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.401 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 35.0 t0 -162.65 104.81 1.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.217 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.718 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -66.23 -9.56 33.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.59 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 1.8 mptt -44.86 -56.28 4.67 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.32 0.581 . . . . 0.0 110.579 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.71 -48.95 79.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.428 179.034 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.718 ' CD2' ' CE1' ' A' ' 26' ' ' HIS . 41.4 t80 -49.78 -39.1 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.008 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.855 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -57.93 -32.94 68.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.55 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 16.6 mt-30 -84.04 -39.57 19.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.7 mmm -71.93 -35.71 69.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 111.222 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.743 HG11 HD13 ' A' ' 35' ' ' LEU . 7.6 p -64.99 -24.58 35.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.74 22.65 42.05 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.944 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.743 HD13 HG11 ' A' ' 33' ' ' VAL . 1.5 mp -70.5 -34.69 72.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 4.3 mtpp -75.63 -10.81 59.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.891 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -45.15 -55.07 6.09 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.28 -172.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.814 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -72.2 171.69 11.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.147 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -55.74 -26.88 47.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.85 -40.73 96.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.961 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.534 ' O ' ' HE1' ' A' ' 2' ' ' MET . 16.0 t70 -65.01 -53.0 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 46' ' ' VAL . 23.3 m -61.29 -35.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.391 0.615 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 50.4 tttm -50.46 -26.35 4.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.636 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HB2' ' HE1' ' A' ' 2' ' ' MET . 5.8 mptp? -58.72 -47.41 84.68 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.048 -0.407 . . . . 0.0 110.654 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.7 p -61.92 -27.51 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 40.5 t80 -68.53 -32.75 72.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.586 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -74.29 -32.73 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 45' ' ' LYS . 6.2 mm -69.58 -49.3 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.955 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.9 pp -82.19 -43.71 17.33 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.543 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.53 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.1 t70 -93.36 45.56 1.17 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.563 0.22 . . . . 0.0 111.52 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.15 -52.1 26.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.712 0.291 . . . . 0.0 111.296 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 4.5 p-10 -116.43 4.93 13.39 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.462 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HG2' HG12 ' A' ' 58' ' ' ILE . 3.1 tppp? -61.47 -13.31 19.7 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 5.8 p 90.89 17.82 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.054 0.541 . . . . 0.0 112.417 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.65 -13.08 54.35 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.931 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 96.3 m-85 -130.88 125.91 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.281 0.541 . . . . 0.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.698 HG21 HD13 ' A' ' 63' ' ' LEU . 3.7 mt -104.78 136.83 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 121.321 0.582 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' HA ' ' HG3' ' A' ' 96' ' ' LYS . 15.8 mt-10 -102.44 122.73 44.89 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.84 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.87 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -36.48 -33.44 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.015 -1.448 . . . . 0.0 112.574 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 6.6 m-20 -64.62 -50.22 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.431 . . . . 0.0 110.353 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 1.4 mp0 -89.0 -16.21 32.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.389 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.913 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -54.24 -30.34 49.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.715 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -66.16 -25.96 72.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.554 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 t -84.16 -55.52 4.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.813 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.597 HG22 ' HA ' ' A' ' 63' ' ' LEU . 8.4 tp -59.72 -17.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.018 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -50.62 -25.01 3.7 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.981 0.419 . . . . 0.0 111.422 179.474 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.1 mttp -49.11 -20.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.244 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.05 -54.89 5.91 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.136 -1.03 . . . . 0.0 111.964 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.813 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.38 -39.9 8.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.864 0.84 . . . . 0.0 110.038 178.413 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.582 ' HA ' HD12 ' A' ' 15' ' ' ILE . 25.0 p -77.51 2.75 15.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.167 -1.379 . . . . 0.0 113.18 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.2 t -45.3 -26.36 0.51 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.084 -0.385 . . . . 0.0 111.199 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.878 ' OD2' HG21 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -110.12 40.32 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.235 0.541 . . . . 0.0 109.85 178.178 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.064 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -169.43 -160.16 0.25 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.192 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -88.99 -151.47 0.22 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.008 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 8.8 m-20 -142.42 -179.75 6.47 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.262 0.553 . . . . 0.0 111.603 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.715 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -68.35 131.47 45.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.761 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.2 m -103.89 -172.81 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.05 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.94 -51.12 24.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 84' ' ' THR . 59.0 mttp -55.03 -50.53 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.412 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.527 ' HA ' HD23 ' A' ' 85' ' ' LEU . 3.5 mm-40 -66.2 -28.12 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.789 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.87 HG23 ' HB2' ' A' ' 60' ' ' GLU . 58.8 m -59.35 -53.09 62.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.903 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.5 mmmt -78.89 -29.72 44.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.138 177.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 59.3 m -87.51 -58.1 2.7 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 81' ' ' GLU . 2.1 mm? -77.81 -49.92 13.35 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.629 ' SD ' HD13 ' A' ' 77' ' ' LEU . 2.0 mmm -73.12 -49.73 26.69 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.226 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.903 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -61.66 -35.42 77.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.16 -39.07 50.37 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.108 0.48 . . . . 0.0 110.17 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.568 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -67.17 -32.11 79.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.61 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 93' ' ' GLY . 7.5 p30 -93.76 37.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.595 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.5 tmtt? -33.61 -54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.75 37.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.004 0.43 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -128.67 -171.74 13.04 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.707 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -114.05 18.23 17.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 0.0 111.194 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.96 30.96 2.6 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.757 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -151.15 142.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -109.73 110.75 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.768 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.54 -154.5 29.67 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.499 HG13 ' CD ' ' A' ' 100' ' ' GLU . 11.6 p -67.76 -34.87 70.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.499 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.99 -54.07 8.7 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.367 0.604 . . . . 0.0 111.009 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -28.36 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.295 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.505 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.6 t80 -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.343 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 106' ' ' VAL . 86.6 p -78.77 -34.71 45.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.681 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.486 HG21 ' HB3' ' A' ' 91' ' ' LYS . 44.4 m -57.16 -50.2 73.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.85 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.947 HD13 ' N ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -59.0 -24.99 63.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.646 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.947 ' N ' HD13 ' A' ' 105' ' ' LEU . 57.9 t -61.06 -39.96 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 121.082 0.467 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.31 -25.85 55.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.309 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.92 -69.2 0.29 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.24 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.939 0.399 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -89.24 -25.66 21.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.39 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.444 ' HB2' HD22 ' A' ' 5' ' ' LEU . 8.9 m-20 -68.22 -29.9 68.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 5' ' ' LEU . 1.7 mm? -102.25 -67.47 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 6' ' ' LEU . 1.4 mt -75.72 156.99 34.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.312 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.431 ' CB ' ' OD1' ' A' ' 10' ' ' ASP . 5.4 m -67.74 111.28 4.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.943 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.19 -31.13 61.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.217 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 10' ' ' ASP . 10.9 pt-20 -74.9 -48.79 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 1.1 m-20 -52.69 -52.65 55.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.362 0.601 . . . . 0.0 111.106 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.644 HG12 HG22 ' A' ' 33' ' ' VAL . 57.9 mt -59.87 -53.96 41.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.477 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -60.48 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 37.4 mttm -63.49 -52.35 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.867 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -48.95 77.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 1.011 HG23 ' HB2' ' A' ' 74' ' ' ALA . 6.4 mt -54.07 -46.18 66.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.01 -4.01 60.26 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.791 -0.718 . . . . 0.0 114.052 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -76.73 -42.31 41.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.541 0.67 . . . . 0.0 112.074 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.806 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -146.73 140.28 25.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 p -87.46 -16.2 35.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.806 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . . . -45.71 -28.65 1.06 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 29' ' ' PHE . . . -52.71 -64.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.229 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 3.5 p30 -78.32 -23.26 47.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.51 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.6 t -66.83 -66.02 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.479 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.687 ' CE2' ' HB1' ' A' ' 20' ' ' ALA . 10.7 p90 -97.35 -51.34 4.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.467 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 47.0 t0 -170.37 126.53 0.78 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.746 ' HB2' HD22 ' A' ' 85' ' ' LEU . 89.1 m-70 -70.76 -10.38 59.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.777 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HG3' ' HA ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -46.61 -50.14 17.94 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 122.24 0.216 . . . . 0.0 111.329 -178.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 4.9 mmpt? -65.34 -44.89 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.638 ' O ' HG12 ' A' ' 33' ' ' VAL . 33.8 t80 -54.33 -31.2 53.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.224 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -59.79 -30.99 69.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.175 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 5.7 mt-30 -83.87 -42.5 16.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.026 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 1.4 mtp -73.67 -33.19 64.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.745 HG11 HD12 ' A' ' 35' ' ' LEU . 13.5 p -65.46 -24.96 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.919 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 10.94 45.58 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.374 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.871 HD23 HG12 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -65.45 -32.69 74.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 11.2 mtpp -83.88 10.35 9.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.279 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.32 -49.32 61.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.871 0.367 . . . . 0.0 110.524 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HD2' ' A' ' 37' ' ' LYS . 7.6 ttmt -136.65 -161.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.7 179.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.368 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -67.23 -10.48 51.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.824 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.76 -43.25 99.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' OD1' ' HB3' ' A' ' 38' ' ' LYS . 4.8 m-20 -66.16 -52.04 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.871 HG12 HD23 ' A' ' 35' ' ' LEU . 33.5 m -61.08 -39.43 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.512 . . . . 0.0 110.686 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 82.5 mttt -63.14 -32.47 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.287 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HD3' HD11 ' A' ' 5' ' ' LEU . 50.4 mttm -67.7 -58.43 4.66 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' HB2' ' A' ' 2' ' ' MET . 12.1 p -54.67 -27.97 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.996 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.691 ' CE1' HD12 ' A' ' 58' ' ' ILE . 21.8 t80 -76.6 -32.52 58.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.682 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 44' ' ' LYS . 24.7 m80 -68.5 -36.52 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.075 0.464 . . . . 0.0 109.84 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.67 -50.32 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.904 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.2 pp -83.42 -31.81 26.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.89 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.451 ' HA ' ' HG2' ' A' ' 54' ' ' LYS . 18.1 t70 -87.78 13.46 10.59 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.33 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.64 0.257 . . . . 0.0 111.347 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -110.98 26.52 10.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.336 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 26.9 mmmt -114.0 1.37 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m 66.12 23.75 10.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.65 -10.14 75.55 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.587 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -134.73 127.7 31.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.532 . . . . 0.0 111.176 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.691 HD12 ' CE1' ' A' ' 47' ' ' PHE . 4.8 mt -111.74 145.36 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.217 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -100.51 122.08 42.62 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.017 0.913 . . . . 0.0 111.822 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.874 ' HB2' HG23 ' A' ' 82' ' ' THR . 4.9 pt-20 -38.05 -33.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.741 -1.572 . . . . 0.0 112.229 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.4 m-20 -69.78 -52.63 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.95 0.405 . . . . 0.0 110.907 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.98 -19.2 54.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.082 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.804 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -47.41 -46.31 26.13 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.29 -29.96 38.89 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.805 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 t -80.04 -58.73 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.18 0.514 . . . . 0.0 110.001 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG21 HG21 ' A' ' 58' ' ' ILE . 6.5 tp -58.84 -17.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.086 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.4 mt -45.48 -27.54 0.75 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.972 0.415 . . . . 0.0 111.56 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 72' ' ' SER . 77.6 mttt -47.49 -21.91 0.39 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.446 -177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.22 -57.87 4.08 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.294 -0.955 . . . . 0.0 111.206 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.88 -42.11 7.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 109.308 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 74' ' ' ALA . 5.0 m -69.53 1.81 3.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.252 -1.34 . . . . 0.0 114.087 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 31.1 t -44.62 -25.04 0.23 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.502 0.592 . . . . 0.0 110.85 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.521 ' HB2' HG21 ' A' ' 15' ' ' ILE . 3.2 m-20 -105.23 -25.59 12.39 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.225 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -86.94 -162.36 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.678 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -99.21 -158.77 0.7 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.591 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 22' ' ' ASP . 4.9 m-20 -109.44 -179.79 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -109.79 124.62 51.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 109.997 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 82' ' ' THR . 27.8 m -95.86 -171.72 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.76 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.72 -51.04 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' THR . 83.5 mttt -50.44 -52.99 32.91 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -73.8 -29.17 62.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.772 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.874 HG23 ' HB2' ' A' ' 60' ' ' GLU . 77.1 m -61.34 -50.04 74.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.821 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 6.9 mmpt? -76.27 -31.23 58.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.042 -1.435 . . . . 0.0 111.166 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.8 m -89.1 -57.92 2.72 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.746 HD22 ' HB2' ' A' ' 26' ' ' HIS . 45.2 tp -73.24 -48.77 32.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.465 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 1.9 tpp -74.53 -51.29 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.016 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -53.66 -34.36 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.009 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.3 -52.4 16.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.473 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -57.46 -38.86 89.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.233 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' HB3' HG12 ' A' ' 97' ' ' ILE . 3.0 p30 -95.31 37.38 1.18 Allowed 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.4 tmtt? -29.93 -36.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.46 1.104 . . . . 0.0 113.698 -178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASP . 20.0 t70 -55.41 -19.52 9.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.979 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.88 49.91 3.9 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 121.509 -0.377 . . . . 0.0 113.5 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.419 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 6.0 m-20 -113.29 -4.05 13.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.581 0.229 . . . . 0.0 111.293 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 96' ' ' LYS . . . 64.2 12.27 49.46 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.08 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' CE ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -146.59 142.15 27.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' A' ' 90' ' ' ASP . 26.4 mt -111.23 112.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.656 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.01 -166.35 37.09 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.485 HG13 ' CD ' ' A' ' 100' ' ' GLU . 14.7 p -61.36 -32.58 53.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.186 0.493 . . . . 0.0 110.66 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.485 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -74.27 -54.35 7.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.282 0.563 . . . . 0.0 110.97 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.21 -37.82 75.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.634 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 2.6 t80 -52.04 -25.07 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.496 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.8 p -78.0 -42.43 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 91' ' ' LYS . 24.0 m -55.43 -42.27 73.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.476 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.7 tt -54.63 -39.2 67.73 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -55.89 -33.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.771 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.25 -34.69 55.78 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.968 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mm-40 -66.83 -64.49 0.84 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.447 0.642 . . . . 0.0 110.126 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.582 ' HA ' ' HG3' ' A' ' 27' ' ' LYS . 68.7 p . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.877 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.613 ' HG3' HG23 ' A' ' 46' ' ' VAL . 15.4 tmm? . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.598 0.237 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 p -69.92 -25.48 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.395 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.14 -30.55 27.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.024 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.58 HD13 ' HG2' ' A' ' 45' ' ' LYS . 5.2 mp -97.8 -61.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.517 ' CB ' HD11 ' A' ' 11' ' ' ILE . 11.0 mt -74.29 137.5 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.798 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.742 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.5 m -55.24 110.19 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.15 70.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.069 0.461 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.449 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 12.3 pt-20 -71.6 -46.83 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.714 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.407 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 63.0 m-20 -60.74 -52.85 63.34 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 111.357 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 7' ' ' SER . 5.9 mt -56.59 -45.97 82.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.989 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -59.83 -51.81 68.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.449 ' CE ' ' HB2' ' A' ' 9' ' ' GLU . 18.8 mttm -72.0 -51.66 20.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.513 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . . . -54.62 -37.9 66.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.757 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.58 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.4 mt -70.49 -56.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.59 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.13 -49.21 5.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.503 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -40.32 -51.47 2.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.131 0.465 . . . . 0.0 112.009 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 14' ' ' ALA . 20.9 p90 -130.11 111.0 12.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.108 0.48 . . . . 0.0 111.448 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 20' ' ' ALA . 9.0 t -90.89 -46.15 8.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.656 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.5 ' N ' HG23 ' A' ' 19' ' ' THR . . . -46.71 -51.24 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.348 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 24' ' ' PHE . . . -44.67 -65.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.583 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 5.8 p-10 -69.81 -34.19 73.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.507 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.467 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.4 t -51.85 -40.44 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.354 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 1.3 p90 -95.5 -24.87 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.444 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 33.6 t70 -166.91 98.78 0.54 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.278 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.451 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -68.96 -17.74 63.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 23.5 mmmt -47.68 -50.22 25.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -60.55 -45.22 94.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.647 ' O ' HG12 ' A' ' 33' ' ' VAL . 46.8 t80 -57.09 -36.43 70.59 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.554 178.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.724 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -53.0 -30.8 37.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.831 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.465 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 36.5 mt-30 -84.35 -41.7 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.478 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.408 ' HG2' ' HA ' ' A' ' 29' ' ' PHE . 10.3 mmm -72.07 -36.43 69.55 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.411 0.624 . . . . 0.0 111.028 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 29' ' ' PHE . 11.2 p -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.47 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.95 28.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.416 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.724 HD22 ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -76.09 -30.08 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.267 179.413 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 31' ' ' GLN . 3.5 mtmp? -82.09 -17.15 47.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.426 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -42.06 -29.21 0.22 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' CD ' ' OD2' ' A' ' 42' ' ' ASP . 53.7 mttm -132.57 -168.89 2.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.2 t -78.12 167.64 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -57.49 -21.3 36.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 10.7 m-20 -68.38 -32.8 73.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.453 ' HA ' ' CD2' ' A' ' 5' ' ' LEU . 5.1 m-20 -73.08 -52.27 14.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.643 ' CG1' HD23 ' A' ' 35' ' ' LEU . 17.0 m -52.74 -35.79 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.32 0.581 . . . . 0.0 110.053 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 44.1 mtpt -50.01 -27.31 5.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.58 ' HG2' HD13 ' A' ' 5' ' ' LEU . 4.3 mptp? -56.78 -48.43 77.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.024 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.613 HG23 ' HG3' ' A' ' 2' ' ' MET . 6.7 p -59.11 -26.99 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.08 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HE1' HD11 ' A' ' 58' ' ' ILE . 9.0 t80 -46.96 -43.18 18.97 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.365 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 60.5 m-70 -75.46 -35.89 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.708 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.448 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 44.1 mm -58.91 -50.41 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.386 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.67 ' O ' HD11 ' A' ' 66' ' ' ILE . 4.0 pp -80.46 -41.46 24.37 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.13 97.54 6.42 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 21.0 ptmt -69.39 -48.72 60.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.159 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 6.4 m-20 -67.75 -20.6 65.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.692 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 87.7 tttt 82.19 -35.84 0.1 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.161 0.584 . . . . 0.0 109.571 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ASP . 47.5 t 63.46 -53.62 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.032 0.933 . . . . 0.0 113.232 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.07 -15.95 54.48 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -178.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.9 m-85 -165.83 126.61 1.82 Allowed 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.843 HG21 HD13 ' A' ' 63' ' ' LEU . 8.6 mt -103.83 142.12 18.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.333 0.587 . . . . 0.0 110.104 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HG2' ' HD2' ' A' ' 96' ' ' LYS . 21.5 mt-10 -101.89 116.8 33.49 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.767 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -39.26 -32.41 0.11 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.892 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.05 -52.32 36.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.045 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.5 -16.67 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.678 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.843 HD13 HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.6 -37.63 65.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.957 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.641 ' N ' HD23 ' A' ' 77' ' ' LEU . . . -61.85 -21.89 61.55 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.879 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -81.25 -62.53 1.63 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 50' ' ' LEU . 10.3 tp -62.94 -19.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.518 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -46.29 -34.6 4.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 72' ' ' SER . 78.5 mttt -49.8 -23.01 1.62 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.775 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.79 -53.12 5.4 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.878 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.681 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.4 p90 -98.02 -45.37 6.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.229 0.537 . . . . 0.0 110.408 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.424 ' HA ' HD13 ' A' ' 15' ' ' ILE . 5.6 m -73.01 0.88 10.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 4.5 t -46.78 -23.43 0.43 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.052 -0.405 . . . . 0.0 111.847 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.7 m-20 -94.15 -12.02 29.22 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -113.49 -93.36 0.47 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 13.3 ptt180 -155.31 -156.5 0.66 Allowed 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.476 -0.14 . . . . 0.0 110.777 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.0 m-20 -124.0 144.75 49.64 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -47.09 121.29 3.62 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 178.177 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -101.08 -177.9 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.638 0.256 . . . . 0.0 110.925 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.89 25.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.189 0.519 . . . . 0.0 110.624 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 39.8 ttmt -52.96 -51.67 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.595 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.947 ' HB2' HD12 ' A' ' 77' ' ' LEU . 32.2 mt-10 -66.16 -25.29 66.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 60' ' ' GLU . 8.4 m -63.29 -51.31 66.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -77.02 -30.24 55.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.874 177.41 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 49.5 m -88.57 -57.84 2.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' CE ' ' A' ' 86' ' ' MET . 0.8 OUTLIER -81.35 -52.36 7.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.539 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.72 ' SD ' HD22 ' A' ' 77' ' ' LEU . 6.0 mmt -63.19 -51.11 67.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.304 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.95 -24.82 55.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.637 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -76.07 -65.52 0.9 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.917 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.569 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -46.96 -36.15 8.55 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.536 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 96' ' ' LYS . 6.9 p30 -95.72 37.79 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.116 -0.542 . . . . 0.0 109.932 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.636 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -29.16 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.393 1.077 . . . . 0.0 113.801 -178.251 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.5 m-20 -54.38 -20.18 6.89 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.721 0.296 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.56 50.1 3.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.75 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -110.74 -8.25 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.585 0.231 . . . . 0.0 111.083 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 67.99 19.52 71.86 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.581 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 13.0 mmtp -148.11 141.42 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.495 HD13 ' HA3' ' A' ' 89' ' ' GLY . 30.4 mt -116.81 113.21 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.072 0.463 . . . . 0.0 111.583 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.38 -170.42 18.23 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.614 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.427 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 14.2 p -56.21 -27.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.427 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.62 -54.32 8.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.377 0.608 . . . . 0.0 110.616 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -61.17 -27.26 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.04 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.595 ' HA ' HD11 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -51.72 -24.81 6.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.6 p -77.33 -42.06 38.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.636 HG21 ' HB3' ' A' ' 91' ' ' LYS . 21.0 m -62.51 -43.03 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.464 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -52.19 -27.02 13.06 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.418 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.63 -36.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.978 0.418 . . . . 0.0 110.141 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.26 -26.22 39.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.437 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.448 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 9.3 mm-40 -63.21 -67.91 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.884 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 64.2 p . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.363 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.464 ' CG ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.638 0.256 . . . . 0.0 111.267 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 m -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -107.02 -64.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 111.598 -179.084 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.75 HD21 HG12 ' A' ' 43' ' ' VAL . 31.6 mt -77.9 146.79 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.377 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.408 ' HB3' ' OD1' ' A' ' 10' ' ' ASP . 55.6 m -59.59 115.03 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.504 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.56 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.438 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.79 -45.47 64.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.4 m-20 -50.45 -52.1 41.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.667 ' HA ' HG23 ' A' ' 33' ' ' VAL . 13.8 mt -60.81 -53.99 41.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.483 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -61.66 -44.28 97.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 110.211 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 18.2 mtpp -65.11 -50.71 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.552 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . . . -65.68 -48.82 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.926 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 1.096 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.6 mt -54.0 -45.21 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.953 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.15 -4.71 59.77 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.539 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -64.84 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.142 0.471 . . . . 0.0 111.747 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.753 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 2.1 p90 -142.65 150.26 39.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 111.262 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -84.72 -26.54 27.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.605 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.753 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . . . -46.78 -26.7 1.01 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.723 0.297 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . . . -53.34 -57.95 8.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 110.227 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' CB ' ' HB2' ' A' ' 75' ' ' ARG . 16.4 m-20 -88.02 -17.11 31.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.406 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 40.5 t -89.24 -56.3 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -95.01 -65.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.411 ' OD2' ' CG2' ' A' ' 84' ' ' THR . 60.3 t0 -161.38 127.49 3.8 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 52.6 m-70 -71.77 -12.38 61.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.527 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HE2' ' N ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -47.64 -54.49 11.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 110.343 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.08 -47.57 85.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 28.0 t80 -51.69 -32.45 29.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.037 178.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.904 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.96 -29.47 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.674 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.0 mt-30 -84.08 -42.69 15.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.698 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.0 mtp -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.221 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.015 HG11 HD12 ' A' ' 35' ' ' LEU . 12.4 p -66.28 -24.72 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.91 19.84 35.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.822 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.015 HD12 HG11 ' A' ' 33' ' ' VAL . 1.5 mt -70.0 -32.44 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.2 mtpp -82.11 -15.26 54.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.403 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HD2' ' HG3' ' A' ' 38' ' ' LYS . 7.7 tmtm? -46.5 -37.34 7.73 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HG3' ' HD2' ' A' ' 37' ' ' LYS . 62.4 mttm -123.89 -175.23 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.236 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 m -70.74 172.24 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.753 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -66.74 -17.33 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 2.5 m-20 -74.67 -35.47 62.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' OD2' ' HD3' ' A' ' 38' ' ' LYS . 7.4 m-20 -67.69 -51.85 44.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.056 0.455 . . . . 0.0 109.78 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.75 HG12 HD21 ' A' ' 6' ' ' LEU . 29.9 m -60.16 -36.85 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 109.75 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 26.9 mtpt -50.81 -26.92 6.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.437 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -56.96 -48.62 77.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.732 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 43' ' ' VAL . 3.9 p -56.81 -27.36 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.486 ' CE1' HD11 ' A' ' 58' ' ' ILE . 15.3 t80 -46.4 -48.7 18.65 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.935 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 36.8 mm -60.95 -49.43 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.491 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 HD12 ' A' ' 58' ' ' ILE . 4.2 pp -84.71 -30.99 24.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.775 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.2 t70 -93.47 44.68 1.14 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 111.386 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 20.4 ptmt -70.41 -51.05 32.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.057 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.6 t70 -115.91 2.81 13.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.41 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 70.8 mmtt -68.69 -12.17 61.09 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 11.8 t 76.39 43.45 0.15 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . 79.62 -3.08 70.09 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.658 -0.782 . . . . 0.0 114.285 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 89.3 m-85 -151.66 143.47 23.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.285 0.543 . . . . 0.0 110.826 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -103.87 139.96 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.129 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' HG2' ' CE ' ' A' ' 96' ' ' LYS . 16.7 mt-10 -102.36 119.79 39.41 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.105 -178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.781 ' HB2' HG23 ' A' ' 82' ' ' THR . 2.1 pt-20 -37.71 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.42 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.58 -52.86 22.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.4 . . . . 0.0 110.93 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 65' ' ' SER . 8.5 tp10 -84.03 -16.27 44.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.056 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -50.45 -45.47 56.06 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.642 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.46 55.99 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.037 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 35.3 t -84.55 -59.47 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.732 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.542 HG22 ' HA ' ' A' ' 63' ' ' LEU . 10.4 tp -59.71 -16.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.659 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.705 ' CD2' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -45.36 -28.37 0.84 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.249 0.547 . . . . 0.0 110.8 178.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.48 -19.9 0.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.252 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.21 -53.76 7.59 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -97.52 -43.68 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.054 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.471 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 19.5 m -68.26 3.36 1.72 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 113.805 -1.543 . . . . 0.0 113.977 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.5 t -44.97 -25.16 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.619 -0.675 . . . . 0.0 111.024 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.04 35.39 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 109.996 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.096 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -141.54 -156.94 0.72 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.078 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 67.6 mtp180 -102.95 -88.05 0.41 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.506 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 2.7 p30 175.65 167.24 0.37 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.064 0.459 . . . . 0.0 112.135 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.705 HD23 ' CD2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -89.5 95.26 10.19 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.963 0.887 . . . . 0.0 109.938 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 42.0 t -68.88 -171.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.61 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -50.13 27.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' THR . 25.8 mtpp -49.81 -54.36 19.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.2 mp0 -69.36 -27.67 65.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.781 HG23 ' HB2' ' A' ' 60' ' ' GLU . 70.2 m -60.18 -52.41 65.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.946 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.5 mmmm -78.02 -31.02 50.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.245 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 62.5 m -88.17 -57.42 2.93 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -74.75 -50.47 17.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -176.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.685 ' SD ' HD22 ' A' ' 77' ' ' LEU . 1.6 mmm -74.27 -51.44 15.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.938 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.946 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -58.34 -31.97 68.08 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.38 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -78.66 -46.09 19.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.574 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -59.08 -35.07 82.33 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.288 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.4 p30 -94.49 38.64 1.1 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.905 -0.647 . . . . 0.0 109.375 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -28.32 -35.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.539 1.136 . . . . 0.0 113.835 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ASP . 6.5 m-20 -55.31 -19.81 9.69 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.729 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.93 51.1 3.69 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.199 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -113.43 -10.0 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.35 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.79 -4.28 45.68 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.551 -0.833 . . . . 0.0 114.003 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 58.0 mttt -132.76 142.96 49.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.616 0.246 . . . . 0.0 110.804 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.423 HD12 ' CE ' ' A' ' 86' ' ' MET . 20.4 mt -104.27 112.51 38.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.07 0.462 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.56 175.87 22.84 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.468 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 13.7 p -47.18 -37.05 4.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.43 -51.68 19.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.829 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 0.4 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.676 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.639 ' O ' HD12 ' A' ' 105' ' ' LEU . 13.9 t80 -52.31 -31.22 32.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.002 0.43 . . . . 0.0 110.13 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -79.19 -33.08 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.64 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.504 HG21 ' HB3' ' A' ' 91' ' ' LYS . 31.1 m -58.94 -45.63 89.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.434 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.47 -23.95 64.87 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.815 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.895 ' N ' HD13 ' A' ' 105' ' ' LEU . 46.8 t -63.65 -36.43 76.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.142 0.496 . . . . 0.0 109.967 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.96 -27.96 35.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.832 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.83 -67.08 0.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.323 0.582 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.485 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.359 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.834 ' SD ' HG23 ' A' ' 46' ' ' VAL . 24.7 mtm . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.462 0.172 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.1 p -83.74 -46.3 12.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -88.79 -33.91 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.567 HD13 ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -74.7 -57.66 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.408 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.494 HD11 ' HB ' ' A' ' 46' ' ' VAL . 33.4 mt -102.03 158.84 15.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.396 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -83.03 110.19 17.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.81 95.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.364 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 13' ' ' LYS . 7.9 tp10 -62.75 -32.09 73.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 1.9 m-20 -73.93 -50.36 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.875 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.487 HG12 ' CG2' ' A' ' 33' ' ' VAL . 56.2 mt -56.18 -38.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.775 0.321 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.34 -51.41 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' ALA . 42.5 mtpt -66.25 -49.54 66.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.342 0.591 . . . . 0.0 110.754 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -60.08 -45.79 91.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.314 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 70' ' ' PHE . 14.7 mt -68.85 -35.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.673 0.273 . . . . 0.0 111.734 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.78 -17.21 49.3 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.398 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -75.97 -27.15 57.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CG ' ' HB2' ' A' ' 22' ' ' ASP . 21.0 m-30 -104.97 75.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -92.38 -39.03 11.68 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.84 -61.74 1.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CE2' ' A' ' 24' ' ' PHE . . . -95.93 -68.02 0.82 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.534 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . 8.4 m-20 -55.57 -20.79 14.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 75' ' ' ARG . 32.1 t -42.61 -33.42 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.403 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 21' ' ' ALA . 26.4 p90 -94.67 -42.93 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.469 ' OD2' ' CE1' ' A' ' 24' ' ' PHE . 69.2 m-20 -66.22 82.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.267 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.674 ' HB2' HD13 ' A' ' 85' ' ' LEU . 96.4 m-70 -70.47 -23.48 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -47.73 -61.05 2.14 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.317 -0.239 . . . . 0.0 111.059 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 1.7 tpmt? -59.07 -44.74 91.9 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.766 ' O ' HG12 ' A' ' 33' ' ' VAL . 46.2 t80 -53.72 -36.63 62.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.779 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.905 ' CE1' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.62 -31.11 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.396 0.617 . . . . 0.0 109.907 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 19.0 mt-30 -84.16 -43.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mmm -72.25 -34.81 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.088 0.471 . . . . 0.0 111.644 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 29' ' ' PHE . 10.5 p -66.64 -24.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.097 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 96.7 10.82 55.01 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.147 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.74 HD12 HG11 ' A' ' 33' ' ' VAL . 2.7 mt -61.83 -34.16 75.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mtpp -86.82 9.77 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.617 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HG2' ' HG3' ' A' ' 38' ' ' LYS . 84.9 tttt -49.21 -69.98 0.1 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.51 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 56.8 mttt -101.36 -89.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -145.44 -177.75 5.72 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.858 0.361 . . . . 0.0 111.353 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.43 -18.5 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.928 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.62 -46.5 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 111.214 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -63.82 -52.81 58.48 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.71 HG12 HD23 ' A' ' 35' ' ' LEU . 31.5 m -55.45 -36.01 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -62.32 -33.12 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.567 ' CB ' HD13 ' A' ' 5' ' ' LEU . 13.3 mptt -68.5 -57.8 5.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.834 HG23 ' SD ' ' A' ' 2' ' ' MET . 4.7 p -52.08 -27.41 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.194 0.521 . . . . 0.0 110.025 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 5.3 t80 -59.41 -51.81 68.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.894 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' LYS . 61.2 m80 -64.86 -35.61 81.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.538 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.449 HG21 ' CE ' ' A' ' 2' ' ' MET . 50.6 mm -51.68 -49.82 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.474 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.5 pp -83.13 -23.51 32.98 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.268 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.711 ' N ' HD12 ' A' ' 50' ' ' LEU . 4.8 t0 -158.46 78.98 0.8 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.677 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -73.59 -37.64 65.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.805 179.579 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.8 t70 -94.51 24.24 4.7 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.405 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB2' HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -57.85 -18.04 20.0 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.417 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m 70.68 24.85 4.22 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.749 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 100.38 -13.3 59.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.933 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.5 m-85 -161.7 139.15 8.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 117.464 0.632 . . . . 0.0 112.299 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.595 ' CG2' HD22 ' A' ' 63' ' ' LEU . 3.8 mt -104.56 146.79 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.776 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.38 122.67 42.82 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.975 0.893 . . . . 0.0 111.848 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 82' ' ' THR . 6.5 pt-20 -43.83 -30.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.586 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.485 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.3 m-20 -68.64 -51.38 42.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.683 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.31 -22.41 41.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -48.37 -48.36 36.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.29 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -57.31 -23.37 47.72 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.078 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.541 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 38.4 t -83.18 -62.76 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 50' ' ' LEU . 9.9 tp -56.1 -17.5 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.766 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -45.98 -48.03 16.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.57 -15.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.07 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.81 -50.73 25.63 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.66 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.766 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 3.8 p90 -97.9 -44.84 6.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 109.139 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' ALA . 88.8 p -72.07 2.3 5.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.331 -1.304 . . . . 0.0 113.241 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.3 p -45.77 -25.91 0.57 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.971 -0.455 . . . . 0.0 111.178 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.633 ' HB2' HG22 ' A' ' 15' ' ' ILE . 2.6 m-20 -92.18 -28.11 17.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 110.041 178.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -86.91 -150.89 0.16 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.144 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' CG ' ' OG ' ' A' ' 23' ' ' SER . 79.0 mtp180 -101.37 -85.98 0.42 Allowed 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -178.14 -171.35 0.27 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.311 0.577 . . . . 0.0 111.856 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.64 ' CD1' HD23 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -119.26 72.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.715 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.0 m -62.35 -174.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.6 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -47.28 27.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.688 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 84' ' ' THR . 65.3 mttm -49.65 -53.68 22.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 84' ' ' THR . 6.4 mm-40 -75.22 -27.23 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 60' ' ' GLU . 89.6 m -61.53 -50.26 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.9 mmpt? -77.3 -30.65 54.29 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.26 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.469 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 97.8 m -87.5 -56.77 3.21 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 26' ' ' HIS . 10.1 tp -79.93 -52.98 7.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.571 ' HE3' HD12 ' A' ' 97' ' ' ILE . 30.3 mmm -63.53 -51.16 66.67 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.219 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -52.95 -25.27 11.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 0.0 110.328 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.37 -63.19 1.43 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.475 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -50.64 -32.86 25.37 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.986 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.3 p30 -95.32 38.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.08 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' CB ' HG21 ' A' ' 104' ' ' THR . 37.2 tptt -28.63 -35.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.191 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -55.07 -19.82 8.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.702 0.287 . . . . 0.0 110.961 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.63 39.41 7.68 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.478 -0.391 . . . . 0.0 113.732 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 9.8 m-20 -100.88 -8.16 22.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.612 0.244 . . . . 0.0 111.122 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 65.83 25.42 71.84 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.874 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 35.5 mttp -155.01 142.77 19.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.571 HD12 ' HE3' ' A' ' 86' ' ' MET . 30.4 mt -117.21 136.37 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 111.525 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 102' ' ' PHE . . . -120.9 -155.74 9.63 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.44 HG13 ' OE1' ' A' ' 100' ' ' GLU . 8.8 p -68.54 -33.02 57.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 117.473 0.637 . . . . 0.0 110.965 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.44 ' OE1' HG13 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -74.38 -55.26 6.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.044 0.45 . . . . 0.0 111.521 -179.18 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -33.6 74.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.526 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t80 -52.72 -26.46 14.09 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.041 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.7 t -78.22 -41.66 33.71 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.43 HG21 ' CB ' ' A' ' 91' ' ' LYS . 61.8 m -56.98 -37.9 72.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.898 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.905 HD13 ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -61.42 -36.61 80.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.161 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 68.1 t -58.02 -33.28 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.053 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.5 -28.45 37.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.072 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HB2' HD23 ' A' ' 105' ' ' LEU . 7.1 mm-40 -65.69 -67.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.767 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.7 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.745 ' HB2' HG23 ' A' ' 46' ' ' VAL . 11.1 tpt . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.946 0.403 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -83.03 -16.38 47.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.679 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.36 -36.1 13.35 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.12 0.486 . . . . 0.0 110.8 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.536 HD13 ' HE1' ' A' ' 2' ' ' MET . 0.6 OUTLIER -81.77 -56.37 4.03 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.44 -178.465 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.526 HD12 ' CG ' ' A' ' 2' ' ' MET . 72.4 mt -74.09 152.4 39.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 p -50.02 110.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.38 84.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.04 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 10.4 pt-20 -68.18 -46.39 70.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.901 0.381 . . . . 0.0 110.586 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.9 m-20 -50.72 -53.77 28.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 0.0 111.637 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 33' ' ' VAL . 32.5 mt -62.77 -54.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.287 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.34 -47.05 87.7 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.228 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 21.9 mtpp -63.53 -52.55 60.7 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.676 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 10' ' ' ASP . . . -62.16 -44.28 96.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.492 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.725 HG21 ' HB3' ' A' ' 73' ' ' ASP . 7.7 mm -54.01 -51.17 48.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.037 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.02 -4.46 58.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.531 -0.842 . . . . 0.0 114.502 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -66.15 -52.53 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.526 0.663 . . . . 0.0 112.347 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.538 ' CD2' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -144.0 113.44 7.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.072 0.939 . . . . 0.0 113.031 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' HG2' ' A' ' 75' ' ' ARG . 88.2 m -73.21 -47.08 46.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.475 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.66 -34.93 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' CD2' ' A' ' 18' ' ' PHE . . . -64.96 -65.62 0.65 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.02 0.438 . . . . 0.0 110.41 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 3.8 m-20 -58.78 -28.6 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 2.8 t -73.25 -37.7 66.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.864 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -95.1 -65.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.327 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 45.7 t0 -142.2 121.67 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.367 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.666 ' HB2' HD22 ' A' ' 85' ' ' LEU . 57.4 m80 -70.26 -8.58 51.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.115 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' NZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -45.7 -60.82 2.0 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.507 0.67 . . . . 0.0 110.556 179.014 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -60.16 -48.74 80.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.805 -1.088 . . . . 0.0 110.188 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.802 ' O ' HG12 ' A' ' 33' ' ' VAL . 80.7 t80 -53.73 -38.74 64.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.085 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE1' HD13 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -52.92 -31.78 41.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 0.0 110.286 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 17.1 mt-30 -84.09 -42.69 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.7 mmm -72.3 -35.19 68.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 111.193 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 29' ' ' PHE . 7.3 p -65.64 -23.4 32.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.613 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.18 55.0 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.171 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.727 HD12 HG11 ' A' ' 33' ' ' VAL . 2.6 mt -64.59 -34.6 78.64 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.8 mtpp -78.83 -21.95 46.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.028 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.44 -56.13 12.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.304 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' HA ' ' A' ' 38' ' ' LYS . 9.8 mmpt? -91.42 166.63 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.619 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -68.65 158.29 34.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.682 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 103' ' ' SER . . . -53.12 -25.64 13.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.66 -41.68 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.456 ' HB3' HD22 ' A' ' 5' ' ' LEU . 2.6 m-20 -66.45 -53.45 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 46' ' ' VAL . 35.7 m -54.99 -39.48 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' N ' HG23 ' A' ' 43' ' ' VAL . 58.5 mttt -50.57 -31.68 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HD2' ' CD1' ' A' ' 5' ' ' LEU . 89.5 mttt -59.8 -49.86 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.646 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.745 HG23 ' HB2' ' A' ' 2' ' ' MET . 1.5 p -56.7 -27.35 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 23.8 t80 -53.58 -47.85 69.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.47 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . 28.0 t60 -71.99 -36.53 69.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.438 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 48.2 mm -51.57 -49.43 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HB2' HG13 ' A' ' 66' ' ' ILE . 3.9 pp -89.18 -35.07 16.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.171 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.486 ' CB ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -101.81 68.73 1.16 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.538 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -75.22 -45.16 42.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.953 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.441 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 21.9 t70 -114.9 22.31 13.56 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HB2' HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -49.7 -27.86 5.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.118 0.485 . . . . 0.0 110.432 179.457 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 15.8 m 77.42 38.93 0.2 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.036 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 93.24 -14.78 64.47 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.32 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 95.6 m-85 -164.36 145.13 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.191 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.639 HG21 HD13 ' A' ' 63' ' ' LEU . 2.3 mt -103.31 143.19 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' HG3' ' CE ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -100.58 118.7 37.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.605 0.717 . . . . 0.0 111.714 -177.133 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -39.44 -30.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.356 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.0 -51.57 66.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.96 0.409 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.82 -16.14 27.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.041 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.87 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -52.46 -40.26 62.07 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.478 0.656 . . . . 0.0 109.498 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -60.16 -16.73 42.66 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.347 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -87.67 -55.81 3.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.624 . . . . 0.0 109.734 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 50' ' ' LEU . 3.7 tp -65.88 -16.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 63' ' ' LEU . 1.2 mm? -59.82 -21.97 61.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.006 0.431 . . . . 0.0 110.909 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' SER . 45.7 mtpt -51.5 -19.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.848 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.27 -49.98 10.07 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.62 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 71' ' ' SER . 1.2 p90 -95.67 -45.21 7.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 109.576 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.593 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.3 p -70.21 2.96 3.16 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.222 -1.354 . . . . 0.0 114.29 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' LYS . 47.6 t -45.0 -24.41 0.22 Allowed 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.843 -0.536 . . . . 0.0 111.374 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.725 ' HB3' HG21 ' A' ' 15' ' ' ILE . 19.4 t70 -125.92 22.26 7.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.921 178.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -133.5 -136.42 0.17 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.641 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 71' ' ' SER . 18.6 mmm180 -108.94 165.4 11.61 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 121.114 0.483 . . . . 0.0 111.143 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' SER . 3.9 p30 -107.77 121.21 44.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.411 0.624 . . . . 0.0 112.203 -178.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.668 HD23 ' CB ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -41.54 93.93 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.532 177.738 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' THR . 15.4 m -98.17 -164.25 1.12 Allowed 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.994 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.82 -51.84 21.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -52.54 -54.4 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 111.023 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.668 ' CB ' HD23 ' A' ' 77' ' ' LEU . 1.5 mp0 -72.36 -24.43 61.28 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.846 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.554 HG23 ' HB2' ' A' ' 60' ' ' GLU . 28.7 m -62.81 -50.36 71.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 24.9 mmtt -76.71 -33.05 58.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.151 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 47.7 m -87.73 -57.56 2.9 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.666 HD22 ' HB2' ' A' ' 26' ' ' HIS . 20.2 tp -80.58 -52.77 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.641 ' HG2' HD21 ' A' ' 77' ' ' LEU . 2.9 mmt -63.02 -53.2 57.65 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.635 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.99 -23.83 48.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.558 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB1' ' NZ ' ' A' ' 27' ' ' LYS . . . -87.49 -58.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -47.22 -41.56 15.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.742 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 92' ' ' ASP . 4.1 p30 -92.77 39.69 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.548 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -31.05 -26.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.21 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' ASP . 4.5 p30 -55.17 -22.21 16.46 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.904 0.774 . . . . 0.0 109.388 177.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.14 47.71 3.77 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.825 -0.625 . . . . 0.0 114.089 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -113.59 -10.32 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.83 0.315 . . . . 0.0 111.244 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.13 -11.57 35.61 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.469 -0.872 . . . . 0.0 113.735 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 67.3 mttt -120.74 147.37 45.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.776 0.322 . . . . 0.0 111.048 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.444 HD13 HD13 ' A' ' 105' ' ' LEU . 17.1 mt -104.53 123.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.492 . . . . 0.0 110.695 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.8 161.38 12.73 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.428 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 13.1 p -47.68 -27.63 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.105 0.452 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.13 -53.81 10.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.73 -24.34 64.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.777 -179.217 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 105' ' ' LEU . 5.2 t80 -51.89 -23.41 4.84 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.768 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.62 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 59.5 p -78.46 -40.44 35.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.548 HG21 ' CG ' ' A' ' 91' ' ' LYS . 3.0 m -63.22 -27.09 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.76 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -61.38 -35.02 76.32 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.52 -32.08 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.241 0.544 . . . . 0.0 109.609 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.86 -24.77 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.228 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.85 -71.88 0.25 Allowed 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.718 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.411 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.516 ' HE1' ' HB3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.448 HG23 ' HB2' ' A' ' 8' ' ' ALA . 91.9 m -111.81 -46.26 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.203 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.1 -26.18 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -90.45 -30.62 17.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.033 HD21 HG12 ' A' ' 43' ' ' VAL . 60.5 mt -131.16 148.52 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.456 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -58.56 110.82 1.06 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.448 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.987 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.81 -41.75 87.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.988 0.423 . . . . 0.0 110.69 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 32' ' ' MET . 7.1 m-20 -55.96 -53.31 58.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.731 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.529 ' HA ' HG23 ' A' ' 33' ' ' VAL . 11.0 mt -59.61 -50.71 78.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -59.46 -46.9 87.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 35.7 mtpt -63.61 -50.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.64 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.504 ' HA ' ' CE1' ' A' ' 18' ' ' PHE . . . -64.68 -54.29 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.884 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 70' ' ' PHE . 7.3 mt -54.87 -35.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.228 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.04 -59.89 1.04 Allowed Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.449 -0.881 . . . . 0.0 114.16 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -38.41 -53.0 1.55 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 14' ' ' ALA . 37.7 p90 -136.25 112.49 9.8 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.026 0.441 . . . . 0.0 111.949 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -90.31 -27.6 19.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.385 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.41 -48.4 18.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.285 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASP . . . -53.06 -65.36 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.647 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' HA ' ' HB2' ' A' ' 26' ' ' HIS . 3.5 t70 -57.88 -32.78 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.259 0.552 . . . . 0.0 109.559 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.3 t -62.92 -49.93 72.85 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.882 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -96.78 -65.88 0.94 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.756 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 52.1 t0 -134.03 100.92 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 111.472 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' CD1' ' A' ' 29' ' ' PHE . 26.1 t-80 -70.61 -9.82 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.253 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 109' ' ' SER . 0.4 OUTLIER -45.06 -59.82 2.41 Favored 'General case' 0 C--N 1.338 0.073 0 O-C-N 121.916 -0.49 . . . . 0.0 110.915 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.52 -40.96 93.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 33' ' ' VAL . 4.6 t80 -57.62 -28.33 63.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.503 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.754 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -64.19 -30.17 71.25 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.281 0.562 . . . . 0.0 109.504 178.354 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 38.6 mt-30 -81.32 -40.67 23.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.332 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 38.3 mtp -72.73 -37.09 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.173 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.959 HG11 HD12 ' A' ' 35' ' ' LEU . 9.9 p -65.8 -24.8 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.152 0.501 . . . . 0.0 110.99 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.1 29.93 18.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.082 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.959 HD12 HG11 ' A' ' 33' ' ' VAL . 1.1 mt -72.29 -30.48 64.86 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.193 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -86.26 5.36 34.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.648 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -47.35 -42.37 21.38 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -128.05 -94.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.563 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -145.43 -179.33 6.58 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.842 0.353 . . . . 0.0 111.211 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.635 ' HB1' ' HE3' ' A' ' 44' ' ' LYS . . . -60.59 -30.0 69.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.36 -51.44 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' HA ' HD23 ' A' ' 5' ' ' LEU . 8.0 m-20 -62.56 -52.81 61.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.538 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.033 HG12 HD21 ' A' ' 6' ' ' LEU . 22.4 m -59.95 -38.23 75.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.951 0.405 . . . . 0.0 110.994 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.635 ' HE3' ' HB1' ' A' ' 40' ' ' ALA . 70.5 mttt -51.41 -29.4 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.151 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.516 ' HB3' ' HE1' ' A' ' 2' ' ' MET . 0.9 OUTLIER -57.34 -46.3 83.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.538 0.209 . . . . 0.0 111.079 -178.176 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.7 HG12 ' O ' ' A' ' 43' ' ' VAL . 7.3 p -54.28 -25.83 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.004 0.43 . . . . 0.0 110.071 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.9 t80 -46.67 -42.59 16.67 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.275 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -74.22 -35.97 63.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.434 HG13 ' SD ' ' A' ' 2' ' ' MET . 37.7 mm -59.88 -51.51 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.626 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' HD11 ' A' ' 66' ' ' ILE . 4.1 pp -78.13 -41.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.302 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.515 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.53 79.97 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.135 0.493 . . . . 0.0 110.472 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 40.2 pttt -46.78 -47.71 20.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.79 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 t70 -68.52 -15.24 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.3 tmtp? 43.98 33.9 0.84 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.508 0.671 . . . . 0.0 109.811 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -36.63 -27.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.516 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 103.72 -12.05 53.5 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.495 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 93.7 m-85 -158.79 127.56 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 0.0 110.287 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 66' ' ' ILE . 1.5 mt -103.77 144.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.549 ' C ' HD12 ' A' ' 63' ' ' LEU . 8.2 mt-10 -103.1 127.01 50.52 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.717 0.77 . . . . 0.0 112.447 -175.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.808 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.6 pt-20 -33.8 -35.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.21 -51.28 55.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.359 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.13 -24.81 23.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.181 0.515 . . . . 0.0 110.496 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.921 HD22 ' SD ' ' A' ' 86' ' ' MET . 2.0 mt -47.44 -52.66 16.31 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.92 -16.36 51.98 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -92.05 -54.35 3.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.444 0.64 . . . . 0.0 109.713 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 50' ' ' LEU . 9.7 tp -57.34 -23.69 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.891 HD23 ' O ' ' A' ' 63' ' ' LEU . 1.2 mm? -48.26 -26.24 1.89 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.251 0.548 . . . . 0.0 111.073 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 27.2 mttm -50.54 -20.98 1.32 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.03 -54.68 3.02 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.74 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.676 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -97.93 -44.43 6.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.191 0.52 . . . . 0.0 110.072 177.708 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 74' ' ' ALA . 10.4 p -69.55 -0.9 7.41 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.5 t -46.98 -25.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.972 0.351 . . . . 0.0 111.222 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 3.5 m-20 -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.728 0.299 . . . . 0.0 111.058 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -92.16 -89.01 0.19 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.272 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 74' ' ' ALA . 99.7 mtt180 -159.0 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.258 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.462 ' C ' HD22 ' A' ' 77' ' ' LEU . 1.2 p30 168.87 175.2 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.198 0.523 . . . . 0.0 111.557 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 85' ' ' LEU . 1.2 mm? -105.92 89.71 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.233 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' THR . 47.9 t -61.75 -175.67 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.558 0.218 . . . . 0.0 110.638 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.4 28.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.466 0.651 . . . . 0.0 110.384 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -50.7 -53.99 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.316 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -75.96 -25.42 55.85 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.009 -178.78 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.678 HG21 ' O ' ' A' ' 60' ' ' GLU . 87.1 m -64.33 -48.94 73.68 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.8 mmpt? -74.62 -29.42 61.27 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.64 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 67.5 m -87.14 -56.77 3.23 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.638 HD13 ' C ' ' A' ' 85' ' ' LEU . 3.0 tm? -81.21 -51.58 8.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.921 ' SD ' HD22 ' A' ' 63' ' ' LEU . 3.9 tpp -61.29 -50.73 71.8 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.99 -178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.16 -24.9 63.45 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.258 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -67.61 -61.23 1.99 Allowed 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.503 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -51.96 -26.96 20.19 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.342 -0.933 . . . . 0.0 110.906 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 93' ' ' GLY . 23.6 t70 -95.38 35.7 1.3 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 109.904 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.754 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.2 tmtt? -33.63 -54.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.183 -0.917 . . . . 0.0 112.954 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.71 36.93 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -136.08 -157.52 7.85 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.526 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.92 -1.04 13.93 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 136.29 -4.18 3.74 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 119.833 -1.175 . . . . 0.0 113.914 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 13.5 mmtp -102.2 140.05 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 86' ' ' MET . 19.2 mt -111.32 111.84 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.199 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.13 165.32 15.94 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.404 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 8.1 p -47.56 -33.86 3.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.169 0.485 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.98 -49.29 38.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.408 ' HG2' ' OD1' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -69.91 -26.92 64.39 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.396 -179.187 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -52.64 -25.8 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 0.0 110.007 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.5 t -72.9 -44.35 61.38 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.42 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.754 HG21 ' HB3' ' A' ' 91' ' ' LYS . 47.2 m -56.32 -35.01 67.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.0 tt -58.28 -39.9 80.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.216 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.3 t -54.77 -34.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.122 0.487 . . . . 0.0 109.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.62 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.298 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.12 -69.27 0.12 Allowed 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.849 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.182 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.759 ' HE1' HD23 ' A' ' 5' ' ' LEU . 3.4 tpt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.872 0.367 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.0 p -119.24 -42.43 2.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.603 ' C ' HD22 ' A' ' 5' ' ' LEU . 16.0 t70 -58.18 -19.57 34.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.759 HD23 ' HE1' ' A' ' 2' ' ' MET . 2.5 mm? -110.8 -54.23 2.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 11' ' ' ILE . 48.2 mt -91.97 146.95 23.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.523 ' O ' HD12 ' A' ' 11' ' ' ILE . 10.5 p -50.98 111.54 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.5 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.32 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 11.4 pt-20 -61.16 -43.55 98.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -60.17 -54.31 47.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 33' ' ' VAL . 8.1 mt -56.9 -53.22 45.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.662 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -52.08 -43.66 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.964 0.412 . . . . 0.0 110.683 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 29.6 mttm -73.86 -50.77 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.579 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.46 -37.73 87.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.474 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 1.004 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.9 mt -73.37 -36.4 48.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.822 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.45 -57.21 1.21 Allowed Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.636 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -39.76 -49.65 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 25.9 p90 -136.11 120.45 17.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.654 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 94.3 m -91.59 -37.45 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 23' ' ' SER . . . -46.93 -41.91 16.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . . . -49.26 -66.65 0.36 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.3 p-10 -69.47 -19.78 63.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.321 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.453 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 8.3 t -55.18 -65.17 0.63 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -96.86 -38.99 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.495 ' HA ' HD11 ' A' ' 85' ' ' LEU . 24.2 t70 -141.75 92.13 2.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.53 -8.1 38.41 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.954 178.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 24.4 mmmt -52.3 -54.67 28.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.874 0.369 . . . . 0.0 110.258 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.97 87.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.583 ' O ' HG12 ' A' ' 33' ' ' VAL . 10.2 t80 -49.77 -46.0 50.21 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.805 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CE2' HD13 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -49.96 -26.81 4.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.864 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 49.7 mt-30 -82.98 -49.41 9.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.159 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 2.5 mtt -72.14 -34.12 68.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.607 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.913 HG11 HD12 ' A' ' 35' ' ' LEU . 15.0 p -64.05 -25.21 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 90.96 26.6 21.55 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.733 -0.746 . . . . 0.0 114.21 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.913 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -71.95 -31.71 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.794 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -88.02 10.12 20.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.51 178.854 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 38' ' ' LYS . 47.5 tttp -46.33 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.341 0.203 0 CA-C-O 120.731 0.3 . . . . 0.0 111.204 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 19.8 mttt -81.03 -85.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.47 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -145.7 177.03 9.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.672 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -63.73 -35.66 81.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.423 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.418 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 10.3 m-20 -66.17 -51.07 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.513 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.884 ' O ' HG12 ' A' ' 46' ' ' VAL . 8.2 m -62.34 -35.53 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 110.315 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 0.9 OUTLIER -58.84 -29.93 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.34 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' CB ' ' HG ' ' A' ' 5' ' ' LEU . 4.4 mptp? -56.75 -38.91 73.08 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.884 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.7 p -57.57 -26.81 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 24.1 t80 -49.44 -36.61 22.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.54 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.68 -31.33 59.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.304 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.6 mm -70.54 -52.95 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.366 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 51' ' ' ASP . 4.0 pp -82.16 -37.93 25.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.461 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -111.86 86.74 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.233 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.6 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.268 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.42 -20.62 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.65 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.4 mttt 41.88 42.36 2.21 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.527 0.68 . . . . 0.0 110.429 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -52.4 -18.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.764 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.56 -13.34 54.15 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.414 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 89.4 m-85 -161.59 127.9 3.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.957 0.408 . . . . 0.0 110.205 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.442 ' CG2' HD13 ' A' ' 63' ' ' LEU . 2.2 mt -103.16 144.35 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' HG2' ' CE ' ' A' ' 96' ' ' LYS . 14.7 mt-10 -98.7 122.41 41.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.145 0.974 . . . . 0.0 112.657 -175.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.824 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -38.41 -32.76 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.485 -1.689 . . . . 0.0 112.008 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 15.7 t70 -63.22 -51.2 67.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -88.0 -23.56 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.863 ' O ' HD23 ' A' ' 67' ' ' LEU . 4.0 tp -48.95 -50.43 35.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.989 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -55.23 -27.49 46.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -78.07 -58.22 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 0.0 110.058 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 63' ' ' LEU . 8.9 tp -59.4 -18.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.305 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -49.2 -25.9 2.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.068 0.461 . . . . 0.0 110.922 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' SER . 75.5 mttt -49.61 -20.54 0.8 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.596 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.61 -55.0 4.74 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.563 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.799 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.655 0.74 . . . . 0.0 109.551 177.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.488 ' HG ' ' C ' ' A' ' 67' ' ' LEU . 77.4 p -69.9 0.2 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.203 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.9 p -47.34 -26.76 1.37 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.919 -0.488 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.485 ' O ' HG22 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -116.98 25.42 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.458 178.655 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.004 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -119.87 -88.37 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.671 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 56.0 mtt180 -167.07 -88.31 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.146 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 4.6 p30 177.17 -175.86 0.14 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.549 HD21 ' HE3' ' A' ' 86' ' ' MET . 0.2 OUTLIER -127.87 81.2 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.869 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -71.81 -172.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.448 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.55 -48.21 27.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 80' ' ' LYS . 7.9 tmtt? -49.49 -53.71 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.632 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.664 ' HB3' HD23 ' A' ' 85' ' ' LEU . 39.9 mt-10 -75.75 -28.83 58.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.824 HG23 ' HB2' ' A' ' 60' ' ' GLU . 96.9 m -58.35 -50.28 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 29.9 mmmt -76.04 -31.0 58.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.121 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 62.7 m -87.69 -58.63 2.5 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 81' ' ' GLU . 1.6 mm? -83.16 -50.73 8.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.549 ' HE3' HD21 ' A' ' 77' ' ' LEU . 11.1 mmt -58.08 -50.8 72.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -54.37 -25.5 24.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.316 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -76.12 -63.09 1.4 Allowed 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.574 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -46.45 -37.99 8.92 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.8 p30 -91.74 38.29 0.98 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.818 -0.691 . . . . 0.0 109.791 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HB3' HG21 ' A' ' 104' ' ' THR . 2.1 tmtt? -29.31 -35.6 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.512 1.125 . . . . 0.0 113.62 -178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASP . 9.1 m-20 -55.92 -18.45 9.05 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.998 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.88 42.56 5.65 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.614 -0.327 . . . . 0.0 112.941 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -103.48 -4.55 23.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.6 0.238 . . . . 0.0 111.166 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 56.31 25.93 49.5 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.403 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 84.3 mttt -153.58 141.16 19.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.556 HG23 HD21 ' A' ' 105' ' ' LEU . 27.7 mt -107.21 112.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 111.881 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.98 170.06 13.99 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.415 ' CG2' ' HD3' ' A' ' 44' ' ' LYS . 10.7 p -47.6 -28.01 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 117.007 0.404 . . . . 0.0 111.033 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -54.93 6.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.348 0.594 . . . . 0.0 110.618 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -65.12 -26.81 68.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.848 -179.444 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.639 ' HD1' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -52.58 -24.44 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.982 0.42 . . . . 0.0 110.32 179.708 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.529 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 65.8 m -78.11 -38.97 42.8 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 91' ' ' LYS . 26.3 m -63.18 -43.79 97.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.79 -24.47 6.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.28 179.593 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.62 -36.96 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.017 0.437 . . . . 0.0 110.08 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.81 -30.19 40.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.161 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.461 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 10.2 mm-40 -55.82 -68.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.649 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.2 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.703 ' HB2' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.927 0.394 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -105.64 -15.43 14.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.524 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.49 -44.06 58.73 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.166 0.507 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.426 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -87.42 -53.71 4.67 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.264 -178.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' CB ' HD11 ' A' ' 11' ' ' ILE . 91.0 mt -74.34 153.37 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.54 ' O ' HD12 ' A' ' 11' ' ' ILE . 6.1 p -55.31 110.77 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.24 87.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 12.7 pt-20 -63.9 -43.13 96.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.0 111.101 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 0.8 OUTLIER -62.13 -53.71 51.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.777 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.696 ' HA ' HG23 ' A' ' 33' ' ' VAL . 14.9 mt -56.44 -52.55 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.768 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -53.04 -44.68 67.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.698 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 54.0 mttt -73.72 -52.52 12.95 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.076 0.465 . . . . 0.0 111.472 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -59.92 -32.2 70.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.435 -178.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.629 HG23 ' HB2' ' A' ' 74' ' ' ALA . 5.7 mt -73.84 -46.71 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.833 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.77 -50.68 1.92 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.282 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -36.88 -55.41 0.9 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -131.65 62.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.548 0.689 . . . . 0.0 112.132 -178.886 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -42.28 -28.42 0.2 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HA ' ' CB ' ' A' ' 23' ' ' SER . . . -46.25 -40.71 11.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -54.55 -64.99 0.66 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.621 ' O ' ' CE1' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -58.9 -24.01 61.81 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.81 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 1.1 t -67.55 -52.17 41.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.172 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.469 ' CD2' ' OD1' ' A' ' 25' ' ' ASP . 43.4 t80 -96.15 -64.23 1.07 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.615 ' HA ' HD21 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -138.7 112.76 8.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.632 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.621 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 13.5 m80 -67.68 -12.67 60.99 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 108' ' ' GLU . 12.8 mmmm -48.2 -55.59 10.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.914 0.388 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HE3' ' CA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -59.86 -49.16 78.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.684 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' O ' HG12 ' A' ' 33' ' ' VAL . 20.8 t80 -50.87 -34.68 29.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.648 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.674 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.24 -28.24 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.751 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 47.4 mt-30 -83.24 -47.74 11.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.039 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 2.2 mtt -72.31 -32.08 66.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 111.234 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' HA ' ' A' ' 11' ' ' ILE . 13.2 p -64.56 -24.07 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 85.04 26.74 36.14 Favored Glycine 0 N--CA 1.452 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.988 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.713 HD13 ' CG1' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -73.03 -29.98 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 109.927 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -87.64 -10.62 50.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.085 178.338 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -41.33 -70.1 0.12 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.623 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 5' ' ' LEU . 62.2 mttm -80.1 -98.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.409 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.8 p -146.73 161.2 41.1 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -51.75 -34.82 41.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 0.0 110.468 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.52 -45.59 77.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 5' ' ' LEU . 11.2 m-20 -54.01 -48.38 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.283 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.908 ' O ' HG12 ' A' ' 46' ' ' VAL . 3.4 m -71.15 -36.48 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.526 0.679 . . . . 0.0 109.726 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 99' ' ' VAL . 44.0 tttt -51.54 -32.75 29.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.521 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HG3' ' CD1' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.87 -47.18 87.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.147 -178.663 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.908 HG12 ' O ' ' A' ' 43' ' ' VAL . 8.7 p -55.68 -25.5 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.12 0.486 . . . . 0.0 110.008 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 35.3 t80 -45.61 -44.16 12.85 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.25 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -75.06 -36.18 61.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 46' ' ' VAL . 39.4 mm -52.88 -50.02 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.512 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 51' ' ' ASP . 4.1 pp -87.23 -37.04 17.61 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.491 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.451 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -119.67 65.95 0.81 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.965 0.412 . . . . 0.0 111.397 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -72.49 -55.27 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.87 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.6 m-20 -117.62 10.84 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 55' ' ' SER . 28.4 tptp -45.46 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.637 0.256 . . . . 0.0 111.416 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 31.4 p 173.03 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.172 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.85 -12.96 46.01 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.17 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.85 161.72 39.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.205 0.526 . . . . 0.0 110.189 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.477 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -105.54 142.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.022 179.156 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -100.42 118.08 35.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.776 0.798 . . . . 0.0 111.357 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.992 ' HB2' HG23 ' A' ' 82' ' ' THR . 5.3 pt-20 -36.79 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.666 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 10.6 m-20 -70.05 -52.35 24.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.131 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -85.65 -18.06 34.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.558 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.82 HD13 ' SD ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -50.86 -31.36 17.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.49 179.685 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.421 ' HA2' ' CB ' ' A' ' 77' ' ' LEU . . . -70.93 -26.86 73.2 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.598 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -81.06 -58.88 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' A' ' 50' ' ' LEU . 7.4 tp -59.65 -24.42 28.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.881 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -47.43 -32.31 4.94 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.333 0.587 . . . . 0.0 110.86 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' SER . 3.8 mtpm? -50.03 -21.34 1.2 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.614 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.99 -53.81 4.57 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.581 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.609 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -98.81 -45.32 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.234 0.54 . . . . 0.0 110.137 177.849 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ALA . 6.1 p -73.13 1.17 9.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.536 -177.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.91 -25.08 0.48 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.02 -0.425 . . . . 0.0 111.197 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.86 35.28 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -148.84 -90.1 0.08 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.693 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 74' ' ' ALA . 45.6 mtp180 -159.19 -168.19 2.27 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.613 0.244 . . . . 0.0 110.808 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -123.31 140.11 53.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.223 0.535 . . . . 0.0 111.948 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.692 HD23 ' HB2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -63.07 100.56 0.22 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.556 179.231 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -82.14 -176.55 6.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -47.7 -50.07 26.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.219 0.533 . . . . 0.0 110.799 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -50.02 -47.05 53.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.71 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.692 ' HB2' HD23 ' A' ' 77' ' ' LEU . 2.4 mm-40 -73.08 -35.09 66.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.362 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.992 HG23 ' HB2' ' A' ' 60' ' ' GLU . 2.1 m -53.76 -50.34 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -76.07 -28.6 57.67 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.272 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.462 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 76.8 m -88.01 -58.31 2.61 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.615 HD21 ' HA ' ' A' ' 25' ' ' ASP . 2.7 mm? -83.35 -51.16 7.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.82 ' SD ' HD13 ' A' ' 63' ' ' LEU . 10.2 mmt -61.64 -46.96 87.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.996 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.62 -25.85 54.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.143 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' LYS . . . -81.48 -63.37 1.41 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.549 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.463 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -49.92 -33.47 20.86 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 97' ' ' ILE . 18.1 t0 -96.29 37.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.605 -0.797 . . . . 0.0 109.322 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.605 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -30.62 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.281 1.032 . . . . 0.0 113.462 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.0 m-20 -55.83 -18.45 8.67 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.589 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.37 3.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.462 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.406 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 11.8 m-20 -113.81 -8.65 13.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 76.56 0.36 67.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.203 -0.999 . . . . 0.0 113.272 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 42.4 mttt -143.67 144.82 32.04 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.583 HD11 ' HA ' ' A' ' 86' ' ' MET . 44.3 mt -103.45 111.42 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.227 0.537 . . . . 0.0 111.614 -179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.63 168.38 33.13 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.428 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.689 HG22 ' HE2' ' A' ' 44' ' ' LYS . 8.1 p -48.41 -36.84 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.793 0.33 . . . . 0.0 111.239 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.475 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -73.36 -53.95 9.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.31 0.576 . . . . 0.0 110.676 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -33.46 66.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.745 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.476 ' HD2' HG23 ' A' ' 43' ' ' VAL . 13.4 t80 -52.34 -29.86 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.287 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.5 p -74.92 -39.13 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.992 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 91' ' ' LYS . 91.0 m -54.71 -37.44 65.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.979 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.674 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 1.5 tt -55.34 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.97 -35.37 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.896 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.32 -30.97 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.039 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.445 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 5.4 mm-40 -61.51 -66.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.309 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.437 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 11.4 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.971 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.776 ' HG2' HG23 ' A' ' 46' ' ' VAL . 15.9 mmt . . . . . 0 C--O 1.232 0.141 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -74.88 -28.36 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 0.0 111.573 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.38 -20.62 27.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.411 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 5' ' ' LEU . 4.7 mp -107.61 -69.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.774 ' CB ' HD11 ' A' ' 11' ' ' ILE . 24.2 mt -75.44 154.44 37.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.328 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 4.2 p -53.32 110.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.68 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 1.6 pm0 -70.27 -37.24 74.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.63 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD2' ' CB ' ' A' ' 7' ' ' SER . 62.5 m-20 -69.06 -52.98 22.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.166 0.507 . . . . 0.0 111.62 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.774 HD11 ' CB ' ' A' ' 6' ' ' LEU . 34.6 mt -55.56 -48.62 77.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.523 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 11.2 tmtt? -56.97 -50.61 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.73 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 9' ' ' GLU . 36.9 mttm -67.56 -50.67 57.39 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.69 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.94 82.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.755 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.593 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 9.4 mt -70.0 -37.48 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.697 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.54 -7.47 59.09 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.524 -0.845 . . . . 0.0 113.014 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.74 -13.95 23.75 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . 12.3 m-30 -106.56 100.05 9.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' SER . 84.1 m -91.96 -49.32 6.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.764 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -100.6 -56.51 2.32 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.507 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -40.77 -66.08 0.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 111.857 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 18' ' ' PHE . 19.6 t70 -65.35 -19.12 65.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.426 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -60.86 -46.86 88.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.041 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 17.2 p90 -95.99 -20.57 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 25.7 t70 -152.57 98.81 2.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.533 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -71.67 -20.2 61.98 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 178.43 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.533 ' CD ' HD12 ' A' ' 85' ' ' LEU . 13.3 mmmm -45.2 -50.28 11.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.92 0.39 . . . . 0.0 110.518 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -60.91 -46.61 89.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 3.6 t80 -57.4 -28.06 62.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.852 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -61.99 -31.1 71.43 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.36 0.6 . . . . 0.0 109.877 178.372 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.498 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 41.6 mt-30 -85.1 -41.17 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.119 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.8 -34.4 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.355 0.598 . . . . 0.0 110.756 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.878 HG11 HD12 ' A' ' 35' ' ' LEU . 9.8 p -66.39 -21.01 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.133 -0.939 . . . . 0.0 112.007 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 22.82 62.83 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.878 HD12 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -66.16 -32.55 74.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.6 mtpp -80.91 -12.97 59.31 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.457 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -42.94 -33.38 0.78 Allowed 'General case' 0 C--N 1.341 0.231 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -139.87 -178.85 5.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.05 165.88 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -63.58 -17.9 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.36 -47.86 82.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' HA ' HD23 ' A' ' 5' ' ' LEU . 9.4 m-20 -61.03 -52.53 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.572 ' CG1' HD23 ' A' ' 35' ' ' LEU . 30.1 m -59.29 -38.27 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.11 0.481 . . . . 0.0 110.699 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -51.66 -28.96 16.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.237 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HG2' HD21 ' A' ' 5' ' ' LEU . 14.0 mptt -60.1 -47.77 84.5 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' HG2' ' A' ' 2' ' ' MET . 0.5 OUTLIER -54.02 -32.22 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE1' ' CD1' ' A' ' 102' ' ' PHE . 1.9 t80 -58.56 -40.99 84.62 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.541 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 38.5 t60 -75.44 -38.53 59.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.505 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.437 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 41.7 mm -50.76 -49.61 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.618 0.723 . . . . 0.0 109.523 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.706 HD13 HG13 ' A' ' 66' ' ' ILE . 4.3 pp -82.88 -42.61 17.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.479 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.607 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -119.49 96.73 5.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.646 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 17.5 ptpt -57.9 -50.41 73.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.656 0.265 . . . . 0.0 111.422 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 13.0 t70 -100.54 -22.43 14.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.977 0.417 . . . . 0.0 110.629 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' PHE . 24.9 mttt 56.46 9.85 0.6 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.9 p 38.57 28.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.558 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.4 11.8 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-N 115.67 -0.695 . . . . 0.0 113.095 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -168.31 165.56 12.86 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.524 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 10.4 mt -106.51 143.76 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 121.14 40.84 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.906 0.86 . . . . 0.0 111.405 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -36.54 -33.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.954 -1.476 . . . . 0.0 112.35 -179.101 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.46 -51.99 44.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.967 0.413 . . . . 0.0 110.623 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.22 -21.5 36.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.074 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.834 ' O ' HD23 ' A' ' 67' ' ' LEU . 3.1 tp -48.35 -50.59 29.93 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 76' ' ' ASP . . . -59.48 -21.09 53.58 Favored Glycine 0 C--N 1.318 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.521 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.8 t -86.88 -57.69 2.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.219 0.533 . . . . 0.0 109.786 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.706 HG13 HD13 ' A' ' 50' ' ' LEU . 6.8 tp -60.5 -15.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.728 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.882 ' HG ' HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -48.8 -28.82 3.95 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.149 0.499 . . . . 0.0 110.642 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.2 mttp -50.08 -21.79 1.4 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.349 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.31 -54.89 3.79 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.171 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.786 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -97.9 -42.16 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.7 p -72.98 4.18 4.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.686 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 41.6 t -43.5 -25.23 0.14 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.317 0.508 . . . . 0.0 111.844 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.13 40.49 1.74 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.264 0.554 . . . . 0.0 110.342 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.507 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -157.68 -145.24 0.14 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 76' ' ' ASP . 82.3 mtp180 -107.11 -93.7 0.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.994 0.361 . . . . 0.0 111.403 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 2.4 p-10 169.19 174.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 111.206 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.882 HD13 ' HG ' ' A' ' 67' ' ' LEU . 4.8 mp -66.06 116.8 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.7 t -92.09 -174.68 3.84 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.9 -50.42 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 110.542 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.18 -49.36 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.398 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' LEU . 11.3 mt-10 -71.78 -31.26 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.401 -178.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.0 m -59.53 -50.66 73.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.586 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.6 mmpt? -76.08 -29.97 58.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.094 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 89.1 m -88.36 -58.35 2.59 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -177.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' CD ' ' A' ' 27' ' ' LYS . 4.7 tp -80.17 -50.37 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.476 ' HE3' ' HB3' ' A' ' 77' ' ' LEU . 26.4 mtt -63.99 -52.29 60.25 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.721 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -62.24 -41.08 98.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . -70.69 -47.66 58.75 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.67 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -47.23 -35.83 9.64 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.947 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 93' ' ' GLY . 3.0 p30 -95.77 38.39 1.17 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.587 ' HB2' HG21 ' A' ' 104' ' ' THR . 26.0 mmmt -34.26 -32.44 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.19 37.63 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -131.39 -165.46 11.44 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.979 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.26 18.81 17.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.518 0.199 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.419 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 104.53 41.71 1.98 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.568 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 45.6 mttp -150.77 140.96 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.882 0.372 . . . . 0.0 110.711 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.436 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 21.1 mt -106.9 111.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.985 0.422 . . . . 0.0 110.578 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.517 ' CA ' ' HA ' ' A' ' 57' ' ' PHE . . . -109.91 -154.56 14.94 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.059 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 100' ' ' GLU . 11.9 p -68.49 -43.38 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.2 0.5 . . . . 0.0 111.562 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.473 ' N ' HG13 ' A' ' 99' ' ' VAL . 11.6 pt-20 -72.0 -51.9 19.63 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.441 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 1.4 mp0 -57.84 -33.48 68.7 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.896 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.64 ' CD1' HD11 ' A' ' 105' ' ' LEU . 4.3 t80 -52.73 -23.38 6.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.304 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -74.57 -38.86 62.55 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.778 HG22 ' OE2' ' A' ' 108' ' ' GLU . 87.6 m -61.57 -42.96 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.907 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.67 HD22 ' HA3' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -58.61 -23.61 59.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.63 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.4 -34.9 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.57 -27.11 37.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.506 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.778 ' OE2' HG22 ' A' ' 104' ' ' THR . 31.7 mt-10 -64.0 -67.52 0.42 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.67 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.23 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.588 ' HG3' HG23 ' A' ' 46' ' ' VAL . 15.9 tmm? . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.86 0.362 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p -68.41 -27.5 66.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.46 -25.9 66.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 5' ' ' LEU . 4.8 mp -102.21 -60.86 1.47 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.708 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' CB ' HD11 ' A' ' 11' ' ' ILE . 37.4 mt -74.63 137.65 42.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.615 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 p -54.48 111.14 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.284 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.96 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.399 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.497 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 17.6 tt0 -66.79 -49.08 66.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.55 -53.79 49.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.476 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 33' ' ' VAL . 20.3 mt -56.57 -53.34 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.591 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -54.46 -42.61 70.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HD3' ' HG2' ' A' ' 9' ' ' GLU . 34.5 mtpt -71.22 -53.02 15.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.224 0.535 . . . . 0.0 111.24 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -62.42 -35.77 80.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.178 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 74' ' ' ALA . 6.5 mm -63.68 -55.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.42 -4.32 60.94 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -92.12 -7.84 47.38 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.181 0.991 . . . . 0.0 112.783 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 3.1 m-30 -115.35 111.01 20.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.1 p -91.88 -48.9 6.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.344 178.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -100.3 -50.63 3.88 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.054 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -38.02 -66.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 15.9 p-10 -71.06 -21.3 62.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -52.16 -44.92 64.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.921 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 35.3 p90 -95.53 -36.68 11.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 66.8 t0 -146.27 105.17 3.87 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.475 ' CD2' ' OE2' ' A' ' 81' ' ' GLU . 35.8 m-70 -71.74 -12.15 61.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.78 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 17.2 mtmm -47.5 -52.77 16.26 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.14 -0.35 . . . . 0.0 110.505 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.35 -44.71 92.64 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' O ' HG12 ' A' ' 33' ' ' VAL . 20.2 t80 -55.5 -31.67 62.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.287 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.39 -28.85 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.206 0.527 . . . . 0.0 110.071 178.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 22.0 mt-30 -84.28 -49.32 8.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.96 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.454 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 37.7 mtt -72.39 -27.74 62.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG11 HD12 ' A' ' 35' ' ' LEU . 13.8 p -67.04 -25.41 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.85 17.35 30.6 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.286 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.962 HD23 ' CG1' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -72.8 -32.06 65.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.261 0.553 . . . . 0.0 109.956 179.428 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.7 mtpp -87.18 10.91 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.942 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HG2' ' HG3' ' A' ' 38' ' ' LYS . 48.9 tttm -47.54 -65.83 0.5 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.505 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 32.4 mtmt -106.41 -90.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.447 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -143.29 -178.88 6.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 111.041 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -65.78 -20.12 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.295 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.21 -44.39 92.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 12.8 m-20 -67.37 -52.31 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.153 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.962 ' CG1' HD23 ' A' ' 35' ' ' LEU . 35.1 m -56.31 -35.55 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -49.53 -30.61 8.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.78 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 5.7 mptp? -59.77 -52.32 65.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.956 HG12 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -55.01 -26.7 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -60.67 -46.12 91.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.433 179.678 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' LYS . 85.7 m-70 -69.79 -41.52 74.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.365 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 45' ' ' LYS . 8.8 mm -52.58 -50.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 109.865 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -80.54 -37.79 30.85 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.327 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.463 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -120.05 61.77 0.85 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -71.57 -53.01 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 18.6 t70 -115.59 11.0 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -52.21 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.979 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m 171.28 36.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.773 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.25 10.14 39.83 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.439 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 4.7 p90 -164.58 144.28 7.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.577 ' CG2' HD22 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -103.74 143.57 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.442 0.639 . . . . 0.0 111.259 -178.209 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HG2' ' HG2' ' A' ' 96' ' ' LYS . 27.4 mt-10 -100.54 122.45 43.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.57 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' HB2' HG23 ' A' ' 82' ' ' THR . 4.3 pt-20 -42.96 -32.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.843 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 7.2 m-20 -70.49 -52.88 18.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.67 -18.11 58.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.994 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.805 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -47.13 -51.0 19.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.255 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.35 -28.06 42.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.884 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.9 m -81.09 -62.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 63' ' ' LEU . 4.7 tp -56.28 -17.15 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.328 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.32 -47.67 13.2 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.91 -13.11 0.09 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -178.256 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.14 -55.02 10.82 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 119.378 -1.391 . . . . 0.0 110.409 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.52 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 4.2 p90 -98.61 -39.36 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 122.152 0.977 . . . . 0.0 108.586 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 15' ' ' ILE . 18.7 t -73.79 2.33 8.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.484 -1.689 . . . . 0.0 113.057 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -45.79 -25.79 0.56 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.929 -0.482 . . . . 0.0 111.325 -179.032 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.592 ' HB2' HG21 ' A' ' 15' ' ' ILE . 5.0 m-20 -120.14 25.13 10.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.547 178.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -134.07 -155.46 0.66 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.438 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' NE ' ' OG ' ' A' ' 23' ' ' SER . 63.0 mtp85 -101.32 166.82 10.56 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.003 0.43 . . . . 0.0 111.398 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.3 161.53 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.367 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 67' ' ' LEU . 1.5 tp -77.02 124.51 27.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.67 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 47.9 t -103.13 -167.49 1.39 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.76 0.314 . . . . 0.0 110.37 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -51.31 -50.46 59.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.289 0.566 . . . . 0.0 110.761 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 84' ' ' THR . 99.1 mttt -60.61 -54.94 39.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.855 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.475 ' OE2' ' CD2' ' A' ' 26' ' ' HIS . 5.4 mt-10 -66.76 -35.16 79.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.65 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 60' ' ' GLU . 99.0 m -60.64 -49.38 77.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.965 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.3 mmmt -73.65 -25.32 60.22 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.93 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.577 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 88.5 m -86.05 -56.19 3.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.081 0.467 . . . . 0.0 112.086 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' A' ' 27' ' ' LYS . 4.2 mm? -72.42 -48.26 42.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.846 ' HE3' HD12 ' A' ' 97' ' ' ILE . 5.9 mmm -81.68 -50.69 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.55 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.965 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.69 -30.82 69.05 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.838 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 84' ' ' THR . . . -83.69 -56.09 3.91 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.158 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.53 ' HA3' HD11 ' A' ' 97' ' ' ILE . . . -56.36 -28.34 54.99 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.338 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 92' ' ' ASP . 36.0 t70 -96.07 38.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.336 . . . . 0.0 110.351 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.97 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -32.69 -25.83 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.548 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 12.1 t70 -58.06 -21.63 46.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.828 0.74 . . . . 0.0 109.978 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.15 53.75 7.52 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.862 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 18.6 t70 -113.27 -9.74 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.54 -18.03 56.03 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.209 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -123.1 143.14 50.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.414 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.846 HD12 ' HE3' ' A' ' 86' ' ' MET . 0.9 OUTLIER -102.78 111.58 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.094 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -101.96 -173.43 27.77 Favored Glycine 0 N--CA 1.44 -1.048 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.981 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.2 -31.47 42.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.42 -54.99 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.151 0.501 . . . . 0.0 111.255 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.452 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.76 -22.75 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.217 -179.295 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CD1' ' CE2' ' A' ' 47' ' ' PHE . 3.3 t80 -51.18 -50.5 58.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . 47.3 t -57.01 -29.85 63.68 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.97 HG21 ' CG ' ' A' ' 91' ' ' LYS . 13.5 m -70.19 -40.27 74.73 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.225 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.531 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -58.57 -38.26 77.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.2 -51.4 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.05 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.54 81.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.326 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.442 ' OE2' ' HB1' ' A' ' 88' ' ' ALA . 6.5 mm-40 -52.86 -68.55 0.16 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.314 0.578 . . . . 0.0 110.549 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 3.4 t . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.635 ' HE3' ' N ' ' A' ' 46' ' ' VAL . 12.9 tpp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.027 0.441 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.599 HG22 ' CB ' ' A' ' 8' ' ' ALA . 31.0 p -98.64 -30.43 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.338 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.43 -19.38 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.285 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.477 HD21 ' HG2' ' A' ' 45' ' ' LYS . 5.5 mp -119.2 -65.86 1.13 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 111.373 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.659 HD13 ' HG ' ' A' ' 35' ' ' LEU . 21.1 mt -74.27 144.47 44.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.7 p -51.7 110.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.599 ' CB ' HG22 ' A' ' 3' ' ' THR . . . -61.93 -43.59 98.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.478 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 14.8 tt0 -73.2 -50.15 24.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.792 0.33 . . . . 0.0 110.989 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.439 ' HB3' ' OG ' ' A' ' 7' ' ' SER . 10.8 t0 -49.83 -46.69 51.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.037 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.589 HG22 HD12 ' A' ' 15' ' ' ILE . 20.8 mt -56.78 -45.15 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.405 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.59 -42.62 97.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.897 0.38 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' CD ' ' HG2' ' A' ' 9' ' ' GLU . 1.8 mtpp -67.65 -50.54 57.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -67.45 -36.91 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.509 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.666 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 5.3 mt -67.51 -36.85 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.56 -4.97 63.58 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.1 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.06 32.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.045 0.423 . . . . 0.0 111.894 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CG ' ' HB2' ' A' ' 22' ' ' ASP . 12.8 m-85 -109.9 74.73 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.252 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -92.33 -36.6 13.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.33 -61.39 1.44 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.84 -67.87 0.83 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.492 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . 11.8 m-20 -56.93 -17.62 10.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.747 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -45.45 -25.99 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.667 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 25' ' ' ASP . 5.6 p90 -84.54 -47.5 10.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.472 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.543 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.1 p30 -78.81 85.97 4.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.65 0.262 . . . . 0.0 110.949 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.566 ' C ' ' CD2' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -70.79 -14.34 62.38 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.505 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HG2' ' CA ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -57.44 -57.09 14.18 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.547 0.689 . . . . 0.0 110.361 179.389 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -38.32 68.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.685 -1.143 . . . . 0.0 107.939 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.684 ' O ' HG12 ' A' ' 33' ' ' VAL . 27.0 t80 -63.47 -37.07 85.89 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.55 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CE2' HD22 ' A' ' 35' ' ' LEU . 6.3 t80 -52.08 -27.42 13.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.233 0.539 . . . . 0.0 109.762 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.503 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 41.6 mt-30 -84.35 -54.37 4.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.486 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.416 ' C ' ' HB2' ' A' ' 14' ' ' ALA . 61.3 mtp -71.46 -20.39 62.09 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 29' ' ' PHE . 13.4 p -74.1 -24.65 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.117 0.484 . . . . 0.0 111.103 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.2 24.18 41.57 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.391 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.751 HD22 ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -74.33 -31.61 62.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.503 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -79.6 -8.61 59.3 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.661 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HD3' ' HG3' ' A' ' 38' ' ' LYS . 8.2 tmtm? -45.37 -27.6 0.71 Allowed 'General case' 0 C--N 1.345 0.388 0 CA-C-O 120.818 0.342 . . . . 0.0 110.995 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HG3' ' HD3' ' A' ' 37' ' ' LYS . 39.2 mtmt -143.22 -179.76 6.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.28 157.57 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.983 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.512 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.54 -20.74 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 9.7 m-20 -62.31 -34.66 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.092 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.97 -52.74 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 40' ' ' ALA . 29.1 m -57.3 -40.84 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.395 0.617 . . . . 0.0 110.32 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 43' ' ' VAL . 64.5 mttt -52.47 -27.34 15.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG2' HD21 ' A' ' 5' ' ' LEU . 14.1 mptt -56.89 -47.12 81.25 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.635 ' N ' ' HE3' ' A' ' 2' ' ' MET . 0.6 OUTLIER -58.24 -28.75 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.709 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 102' ' ' PHE . 9.3 t80 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.753 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.0 -37.96 89.34 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 45' ' ' LYS . 37.5 mm -55.52 -48.67 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.32 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 66' ' ' ILE . 5.3 mt -89.13 -24.09 22.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.338 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 1.8 m-20 -91.71 26.6 2.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 111.711 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -62.12 -41.04 97.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.47 -19.21 13.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 42.2 mmtm -62.79 -14.24 42.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.54 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m 69.85 22.89 5.78 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.28 -12.66 58.61 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.345 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD2' ' HA3' ' A' ' 98' ' ' GLY . 36.2 m-85 -144.49 132.77 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.16 0.505 . . . . 0.0 111.331 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.535 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 1.4 mp -103.97 144.0 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.674 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -99.98 137.78 37.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.858 -177.122 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.616 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -32.08 -38.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.873 0.733 . . . . 0.0 112.573 -177.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.69 -52.38 26.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.6 mm-40 -76.95 -17.68 58.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.395 178.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.674 HD23 ' C ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -50.4 -24.04 2.79 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.818 179.134 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.815 ' CA ' HD23 ' A' ' 77' ' ' LEU . . . -74.86 -20.17 79.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.702 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -86.52 -51.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.83 0.824 . . . . 0.0 108.794 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.7 HD13 HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -52.77 -41.0 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.0 179.338 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -50.18 -39.83 45.01 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 111.159 -179.651 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 38.5 mttp -50.01 -26.56 4.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.939 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.567 ' CA ' HD21 ' A' ' 50' ' ' LEU . . . -44.34 -48.38 8.45 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.657 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 49.8 p90 -95.19 -49.2 5.6 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.428 0.633 . . . . 0.0 109.481 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.506 ' HB3' ' CE2' ' A' ' 70' ' ' PHE . 60.2 p -69.83 -0.09 6.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.504 -1.226 . . . . 0.0 114.114 -177.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 30.1 t -46.49 -23.33 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.442 . . . . 0.0 111.55 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.14 29.78 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.522 0.201 . . . . 0.0 111.533 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.666 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . . . -154.87 -90.19 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -152.34 -174.34 4.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.661 0.267 . . . . 0.0 110.806 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -127.9 146.9 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 112.012 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.041 HD12 ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -35.82 135.45 0.3 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 178.383 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.6 m -113.15 -179.11 3.55 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.8 -50.42 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.285 0.564 . . . . 0.0 110.82 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 63.2 tttp -56.13 -54.08 49.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.18 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 1.041 ' HB2' HD12 ' A' ' 77' ' ' LEU . 31.3 mt-10 -59.49 -25.95 64.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.547 ' CA ' HD11 ' A' ' 77' ' ' LEU . 48.6 m -63.34 -51.65 65.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.0 mmpt? -77.6 -27.98 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.819 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 37.3 m -88.39 -59.49 2.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.486 HD23 ' CB ' ' A' ' 81' ' ' GLU . 3.2 mm? -83.64 -52.17 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -177.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.644 ' SD ' HD12 ' A' ' 63' ' ' LEU . 5.2 mmt -61.09 -51.5 68.87 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.553 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.15 -23.77 62.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.671 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -77.41 -65.28 0.98 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.074 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.488 ' CA ' HD13 ' A' ' 105' ' ' LEU . . . -49.96 -28.65 12.67 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.076 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' ASP . 13.4 p30 -95.17 39.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.68 0.392 . . . . 0.0 110.326 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.827 ' HB2' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.6 -32.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -178.242 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 90' ' ' ASP . 22.2 t70 -55.96 -19.96 14.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.393 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.55 46.37 7.4 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.208 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -109.96 -7.87 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.634 0.254 . . . . 0.0 111.047 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.8 27.97 72.57 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.906 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 55.1 mttt -152.06 142.68 22.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.784 0.326 . . . . 0.0 110.645 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.433 HG22 ' CE1' ' A' ' 47' ' ' PHE . 27.6 mt -104.9 141.07 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.894 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.485 ' HA3' ' CD2' ' A' ' 57' ' ' PHE . . . -142.25 171.18 24.72 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.343 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.6 p -47.73 -36.81 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -54.32 8.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 110.65 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.431 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -63.94 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.031 -179.16 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 5.5 t80 -53.55 -26.12 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.072 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.9 t -68.76 -45.2 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.053 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.827 HG21 ' HB2' ' A' ' 91' ' ' LYS . 85.0 m -58.38 -42.9 88.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.488 HD13 ' CA ' ' A' ' 89' ' ' GLY . 27.9 tp -54.71 -29.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.102 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 102' ' ' PHE . 26.3 t -69.61 -41.76 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.038 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.04 -28.25 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.948 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 88' ' ' ALA . 35.3 mm-40 -50.83 -65.87 0.48 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.818 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.451 ' OG ' ' HG3' ' A' ' 31' ' ' GLN . 26.8 t . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.98 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 46' ' ' VAL . 35.5 ttp . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -73.36 -33.19 64.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.815 0.34 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -75.72 -25.08 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -106.42 -58.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 43' ' ' VAL . 16.1 mt -88.01 145.33 26.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 11' ' ' ILE . 6.4 p -60.87 110.39 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.249 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.18 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.06 -48.95 79.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.163 0.506 . . . . 0.0 111.314 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.409 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 1.7 m-20 -60.44 -52.13 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.241 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.562 HD11 ' CB ' ' A' ' 6' ' ' LEU . 19.2 mt -54.52 -53.44 31.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.456 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -55.84 -45.99 78.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 19.9 mtpp -67.94 -50.1 57.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.357 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -51.66 55.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.101 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 70' ' ' PHE . 9.0 mt -56.86 -45.62 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.93 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.45 -37.12 32.09 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.576 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -75.29 -4.86 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 11.0 m-30 -115.16 88.87 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' SER . 95.1 m -90.72 -45.31 8.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -97.57 -37.29 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.192 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HB3' ' CG ' ' A' ' 18' ' ' PHE . . . -47.74 -66.0 0.47 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.769 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' A' ' 18' ' ' PHE . 68.8 m-20 -58.12 -30.6 66.43 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.8 -32.26 73.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.361 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ALA . 64.2 t80 -95.26 -48.02 6.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.819 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 24.0 t70 -159.49 101.61 1.53 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 111.753 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.465 ' CD2' ' HD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -70.81 -18.44 62.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.652 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HB2' ' OD2' ' A' ' 25' ' ' ASP . 30.1 mmmt -49.0 -50.71 34.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 5.9 mmpt? -59.41 -45.74 90.67 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' ' 33' ' ' VAL . 24.1 t80 -56.43 -36.14 68.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.565 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' HE1' HG22 ' A' ' 106' ' ' VAL . 0.6 OUTLIER -52.73 -31.7 39.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.3 0.572 . . . . 0.0 109.528 178.809 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.4 mt-30 -84.66 -41.69 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.513 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.9 mmm -71.22 -35.8 71.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.392 0.615 . . . . 0.0 110.984 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.803 HG11 HD12 ' A' ' 35' ' ' LEU . 14.7 p -66.13 -21.99 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.895 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.64 20.17 54.73 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.856 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.803 HD12 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -67.6 -34.35 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.328 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.9 mtpp -78.78 -13.71 59.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.349 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 7' ' ' SER . 4.9 tmmt? -53.81 -22.84 10.41 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.69 0.281 . . . . 0.0 111.21 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -131.83 -174.34 3.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.012 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.5 p -87.27 171.91 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.629 ' HB1' ' NZ ' ' A' ' 44' ' ' LYS . . . -50.54 -48.36 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.454 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -53.04 -38.0 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -70.55 -52.73 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.743 ' CG1' HD23 ' A' ' 35' ' ' LEU . 16.1 m -59.96 -36.32 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 110.919 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.629 ' NZ ' ' HB1' ' A' ' 40' ' ' ALA . 45.8 mttp -49.94 -29.04 7.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.768 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 4.5 mptp? -57.53 -52.91 63.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.105 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 43' ' ' VAL . 4.3 p -61.82 -26.98 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.673 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 41.0 t80 -74.1 -38.05 63.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.439 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -67.27 -43.15 82.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 45' ' ' LYS . 5.3 mm -48.41 -49.07 13.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.404 0.621 . . . . 0.0 110.167 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.49 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.2 pp -86.82 -27.44 23.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.58 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.1 t70 -105.83 36.49 2.53 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 46.7 pttt -69.11 -49.17 59.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 111.568 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.556 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 22.0 t70 -115.87 20.01 14.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HG2' HG12 ' A' ' 58' ' ' ILE . 1.9 tppp? -80.68 3.64 21.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.716 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 9.0 t 82.1 4.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.59 -14.1 60.79 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.186 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 2.9 p90 -141.97 133.39 26.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 110.077 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 66' ' ' ILE . 2.9 mt -101.65 145.61 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.191 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.2 122.78 42.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.095 0.95 . . . . 0.0 111.7 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HB2' HG23 ' A' ' 82' ' ' THR . 3.1 pt-20 -36.82 -33.21 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.585 -1.643 . . . . 0.0 112.226 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 15.3 m-20 -70.95 -53.5 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 111.447 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -78.02 -19.99 53.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.143 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -47.5 -47.36 27.58 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.511 -179.568 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.424 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -52.1 -36.03 42.88 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.348 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -75.79 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.269 0.557 . . . . 0.0 110.057 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 58' ' ' ILE . 7.3 tp -61.45 -15.75 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -51.61 -25.53 7.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.971 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -48.82 -21.99 0.74 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.013 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.6 -54.4 6.6 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.273 -0.965 . . . . 0.0 111.186 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.62 ' O ' HD13 ' A' ' 15' ' ' ILE . 1.5 p90 -98.08 -43.74 6.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.571 0.701 . . . . 0.0 109.388 177.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' ALA . 96.0 p -70.95 2.07 4.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.776 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.7 p -45.76 -24.47 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.835 -0.541 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.547 ' HB2' HG22 ' A' ' 15' ' ' ILE . 3.9 m-20 -94.16 -27.25 16.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.598 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -93.94 -156.84 0.51 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.25 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -100.11 -84.31 0.42 Allowed 'General case' 0 C--O 1.231 0.101 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -175.78 -169.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.819 0.342 . . . . 0.0 111.113 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.578 HD23 HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -103.82 136.53 43.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 -179.689 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.5 m -106.78 -173.62 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.62 -50.83 31.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -51.12 -53.81 30.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -72.32 -25.63 61.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 60' ' ' GLU . 95.1 m -62.6 -49.81 73.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.9 mtpt -76.66 -29.0 56.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.19 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 42.9 m -88.7 -57.72 2.81 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 81' ' ' GLU . 34.6 tp -74.44 -48.88 24.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -176.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.483 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mmm -75.26 -53.62 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.027 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -64.35 -25.16 67.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.527 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -82.85 -39.82 21.13 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.342 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.724 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -69.07 -38.88 84.35 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.76 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.497 ' HA ' ' CG ' ' A' ' 101' ' ' GLU . 4.2 p30 -92.12 39.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.482 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.647 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -30.71 -28.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.362 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASP . 12.7 t70 -56.51 -21.05 23.41 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.776 -0.577 . . . . 0.0 109.617 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 10.19 63.45 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.782 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.45 -6.05 40.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.185 0.492 . . . . 0.0 110.966 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.46 24.86 68.07 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.165 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 50.1 mttp -145.18 139.34 27.16 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.067 0.46 . . . . 0.0 110.669 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.512 HD13 HD13 ' A' ' 105' ' ' LEU . 25.5 mt -106.78 112.06 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.292 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -110.88 170.3 13.81 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 178.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.473 ' N ' ' CE2' ' A' ' 47' ' ' PHE . 14.6 p -46.72 -29.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 117.104 0.452 . . . . 0.0 111.244 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.65 -51.99 17.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.275 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.497 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -73.04 -23.0 60.54 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 106' ' ' VAL . 1.9 t80 -52.1 -31.61 31.48 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.3 0.571 . . . . 0.0 109.857 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 93.0 p -71.08 -31.17 67.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.647 HG21 ' CG ' ' A' ' 91' ' ' LYS . 2.9 m -68.48 -48.48 64.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.749 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.724 HD22 ' HA3' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -59.62 -38.51 81.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.529 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 102' ' ' PHE . 87.2 t -54.1 -29.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.62 34.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.386 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -70.38 0.14 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.964 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.3 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.333 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.529 ' HB2' HG23 ' A' ' 46' ' ' VAL . 15.2 ttp . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.0 m -65.78 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.11 0.481 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.76 -25.7 21.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.483 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.473 ' CD1' ' CB ' ' A' ' 45' ' ' LYS . 23.3 mt -84.25 -64.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.586 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.835 ' CD2' HG12 ' A' ' 43' ' ' VAL . 62.7 mt -75.43 145.66 41.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.524 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.0 p -50.05 110.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.396 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.91 89.8 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 28.8 tt0 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.155 0.502 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -55.55 -54.54 42.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.124 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 6' ' ' LEU . 15.4 mt -57.01 -53.57 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.683 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -53.21 -50.78 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mtpm? -66.02 -51.77 55.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.382 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.179 0.514 . . . . 0.0 111.615 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 73' ' ' ASP . 5.4 mm -54.67 -51.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.26 -3.44 61.59 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.641 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -82.81 -29.09 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.719 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -117.08 120.48 38.46 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 0.0 112.144 -178.506 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 9.2 t -91.83 -34.22 14.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -97.97 -45.5 6.25 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.816 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' CB ' ' A' ' 18' ' ' PHE . . . -43.76 -66.79 0.34 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' OD2' ' CD2' ' A' ' 29' ' ' PHE . 4.4 t70 -61.97 -19.03 62.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.884 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -72.0 -56.21 6.06 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.631 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 42.0 p90 -95.77 -18.53 20.35 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.408 ' OD2' ' HD2' ' A' ' 28' ' ' LYS . 24.2 t0 -164.13 96.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.248 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -71.17 -20.24 62.31 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.63 179.154 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -45.49 -49.39 13.66 Favored 'General case' 0 C--N 1.34 0.194 0 O-C-N 121.87 -0.519 . . . . 0.0 110.378 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.63 -50.5 73.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.695 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 2.1 t80 -54.16 -28.64 41.52 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.414 178.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.901 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.45 -26.92 68.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.186 178.293 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.547 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 50.9 mt-30 -85.01 -42.51 14.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.491 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 5.1 mmt -69.51 -35.47 75.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.757 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.961 HG11 HD12 ' A' ' 35' ' ' LEU . 14.2 p -66.46 -20.42 27.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.697 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.39 31.97 44.4 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.597 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.961 HD12 HG11 ' A' ' 33' ' ' VAL . 3.5 mt -70.5 -27.34 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 0.0 109.932 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 1.1 mtmm -94.48 -4.96 47.19 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.261 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -43.41 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.344 0.333 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -75.22 -96.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.899 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.9 p -146.11 167.64 22.91 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.783 0.325 . . . . 0.0 110.682 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HB1' ' CB ' ' A' ' 103' ' ' SER . . . -61.56 -21.18 64.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 9.8 m-20 -71.17 -51.51 24.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.082 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -51.89 -46.04 64.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.214 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.835 HG12 ' CD2' ' A' ' 6' ' ' LEU . 21.5 m -71.09 -41.42 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.582 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' N ' HG23 ' A' ' 43' ' ' VAL . 10.5 ttpt -53.86 -28.41 35.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.619 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CB ' ' CD1' ' A' ' 5' ' ' LEU . 5.9 mptp? -58.15 -46.52 85.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.456 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 43' ' ' VAL . 3.7 p -52.92 -27.09 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.248 0.547 . . . . 0.0 109.83 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 34.4 t80 -46.42 -51.31 15.33 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.485 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -70.29 -30.97 68.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.071 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 38.9 mm -61.29 -48.74 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.89 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -87.33 -33.92 19.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.28 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.9 t70 -84.29 10.49 10.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HD2' ' HB2' ' A' ' 53' ' ' ASP . 3.6 pptp? -54.14 -39.19 66.27 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.166 -0.213 . . . . 0.0 111.447 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 22.7 t70 -115.14 26.0 10.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HE3' ' CG ' ' A' ' 62' ' ' GLU . 35.0 mmtm -105.18 1.71 28.51 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 21.0 t 73.71 13.96 4.26 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.26 -2.57 54.43 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.287 -0.959 . . . . 0.0 113.987 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 55.2 m-85 -145.64 141.87 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.295 0.547 . . . . 0.0 111.625 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -105.73 128.87 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.471 178.755 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' HG2' ' CD ' ' A' ' 96' ' ' LYS . 5.5 mt-10 -102.9 129.4 49.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.609 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.713 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -35.31 -37.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.936 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -51.55 53.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' CG ' ' HE3' ' A' ' 54' ' ' LYS . 7.1 tp10 -77.46 -20.98 53.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.617 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.681 HD12 HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -47.8 -48.03 30.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.945 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.61 77.53 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 22.6 t -77.71 -56.88 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.359 0.599 . . . . 0.0 109.926 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.499 HG21 ' CG2' ' A' ' 58' ' ' ILE . 5.5 tp -59.33 -20.43 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.741 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.777 HD11 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -47.12 -28.31 1.73 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.189 0.518 . . . . 0.0 111.413 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 65' ' ' SER . 47.6 mmtm -48.3 -20.61 0.41 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.339 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.1 -57.43 7.03 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.721 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.501 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 7.6 p90 -98.04 -36.45 10.11 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.851 0.834 . . . . 0.0 108.907 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.514 ' HA ' HD12 ' A' ' 15' ' ' ILE . 37.4 t -73.57 2.68 7.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 113.946 -1.479 . . . . 0.0 113.14 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 13.2 t -44.58 -25.34 0.26 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.046 -0.408 . . . . 0.0 111.879 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.709 ' HB2' HG21 ' A' ' 15' ' ' ILE . 5.4 m-20 -122.36 22.51 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.004 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.687 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -123.36 -157.28 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 19' ' ' THR . 11.1 mpt_? -94.46 -96.34 0.16 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 121.214 -0.195 . . . . 0.0 111.233 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.56 ' HA ' HD22 ' A' ' 67' ' ' LEU . 1.9 p-10 168.83 177.31 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.199 0.523 . . . . 0.0 111.877 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.777 HD22 HD11 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -88.25 115.41 25.73 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.215 179.251 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 m -92.79 -175.65 3.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.361 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.57 24.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.393 0.616 . . . . 0.0 110.481 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' THR . 60.2 tttp -56.89 -50.45 72.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.635 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.8 mm-40 -68.27 -31.89 71.67 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.74 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.713 HG22 ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -61.2 -49.96 75.06 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.214 -0.995 . . . . 0.0 108.738 178.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.904 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.3 mmmt -76.2 -27.11 56.74 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.788 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.478 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 85.1 m -88.61 -58.12 2.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.633 HD23 HD21 ' A' ' 77' ' ' LEU . 15.6 tp -80.98 -50.41 9.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.41 ' HG3' ' HA ' ' A' ' 60' ' ' GLU . 3.7 tmm? -67.24 -48.13 68.72 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.774 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.904 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -64.33 -38.41 90.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.615 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.498 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . -67.29 -66.45 0.56 Allowed 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.606 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -43.86 -32.04 2.11 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-O 121.768 0.649 . . . . 0.0 112.141 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' HA ' ' CD ' ' A' ' 101' ' ' GLU . 35.0 t70 -96.0 41.11 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.878 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.535 ' CE ' HG22 ' A' ' 104' ' ' THR . 1.6 mptp? -26.65 -41.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.483 0.713 . . . . 0.0 112.604 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.4 m-20 -54.01 -16.24 1.82 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.426 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 66.18 42.52 94.28 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.486 -0.388 . . . . 0.0 113.157 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.424 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 11.1 m-20 -96.84 -6.34 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.73 14.65 81.21 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.952 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -158.01 152.42 24.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.205 -179.002 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.4 mt -104.14 111.98 35.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.248 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.27 167.42 26.27 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.519 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.488 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -47.59 -38.42 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.832 0.316 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 101' ' ' GLU . 2.9 pp20? -71.73 -45.37 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.484 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.474 ' OE1' HG21 ' A' ' 104' ' ' THR . 2.8 mm-40 -75.01 -22.8 58.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.333 . . . . 0.0 111.214 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.485 ' O ' HD12 ' A' ' 105' ' ' LEU . 20.7 t80 -52.18 -36.53 52.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.187 0.518 . . . . 0.0 109.787 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.485 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . 15.4 m -78.08 -30.32 49.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.95 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.535 HG22 ' CE ' ' A' ' 91' ' ' LYS . 98.5 m -56.62 -47.66 79.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.179 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.77 -23.27 66.06 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.992 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.862 ' N ' HD13 ' A' ' 105' ' ' LEU . 86.2 t -57.75 -31.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.38 -31.85 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.181 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HG2' ' HE2' ' A' ' 91' ' ' LYS . 6.9 mm-40 -52.13 -72.24 0.06 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.668 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 26.8 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.493 ' HE1' ' C ' ' A' ' 45' ' ' LYS . 11.1 tpp -130.77 53.96 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.463 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.1 p -107.62 -27.41 10.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.47 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.67 -23.31 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.947 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 5' ' ' LEU . 1.4 mm? -107.84 -64.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.63 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.627 HD21 HG12 ' A' ' 43' ' ' VAL . 77.4 mt -78.78 142.13 37.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 p -53.53 110.39 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.79 84.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.594 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 24.5 tt0 -63.98 -50.03 70.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.191 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.24 -54.19 28.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.205 0.526 . . . . 0.0 111.758 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.584 ' HA ' HG23 ' A' ' 33' ' ' VAL . 23.2 mt -56.86 -33.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.987 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -69.97 -45.63 66.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 9' ' ' GLU . 1.3 mtpp -73.08 -52.2 15.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 111.044 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -56.0 -38.83 70.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.786 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 8.8 mt -74.19 -51.38 23.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.99 -4.86 81.56 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.694 -0.765 . . . . 0.0 114.719 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -91.57 -24.21 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.852 0.826 . . . . 0.0 111.995 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.27 105.29 12.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 111.776 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.523 HG23 ' N ' ' A' ' 20' ' ' ALA . 10.7 t -91.83 -47.74 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.522 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.523 ' N ' HG23 ' A' ' 19' ' ' THR . . . -99.18 -45.59 5.85 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 18' ' ' PHE . . . -48.38 -65.86 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -59.29 -29.06 67.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.448 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -54.45 -25.68 26.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.155 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -92.81 -52.88 4.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -145.11 106.93 4.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.778 ' HB2' HD22 ' A' ' 85' ' ' LEU . 2.3 m80 -70.6 -10.92 60.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.466 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HD3' ' HB1' ' A' ' 88' ' ' ALA . 5.6 mmmt -47.77 -53.6 14.85 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.024 0.44 . . . . 0.0 110.41 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 2.6 tpmt? -59.05 -44.11 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 14.3 t80 -57.78 -34.42 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.279 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE1' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -56.0 -28.87 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.004 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' HA ' ' HE2' ' A' ' 36' ' ' LYS . 44.3 mt-30 -84.19 -43.84 14.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.809 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.441 ' C ' ' HB2' ' A' ' 14' ' ' ALA . 19.2 mmt -71.71 -32.72 68.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.417 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.075 HG11 HD12 ' A' ' 35' ' ' LEU . 8.3 p -66.15 -25.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.33 21.6 34.55 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.012 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.075 HD12 HG11 ' A' ' 33' ' ' VAL . 2.7 mt -71.59 -28.97 64.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 31' ' ' GLN . 28.6 mtmt -82.99 -23.14 33.46 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -30.3 11.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 6.0 mmpt? -114.72 -171.68 1.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' OD2' ' A' ' 41' ' ' ASP . 70.3 m -95.32 176.06 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.709 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -55.56 -38.37 69.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 39' ' ' SER . 3.7 p30 -59.4 -49.9 76.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.026 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' HA ' ' HG3' ' A' ' 45' ' ' LYS . 15.3 m-20 -58.95 -52.34 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.882 0.372 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.627 HG12 HD21 ' A' ' 6' ' ' LEU . 27.8 m -60.79 -38.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.124 0.488 . . . . 0.0 110.361 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 19.2 tttm -59.75 -26.74 65.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.181 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' C ' ' HE1' ' A' ' 2' ' ' MET . 9.4 mttm -55.08 -33.35 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.803 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 43' ' ' VAL . 1.7 p -80.97 -28.5 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.9 t80 -57.54 -35.17 69.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.956 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -72.65 -29.32 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' ' HE3' ' A' ' 52' ' ' LYS . 42.1 mm -70.63 -47.55 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.192 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.9 pp -84.46 -42.39 15.65 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.308 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' N ' HD12 ' A' ' 50' ' ' LEU . 8.3 t70 -87.2 49.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 0.0 111.377 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.78 -51.68 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.134 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.9 t70 -115.6 22.93 12.75 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.937 ' HE2' HG23 ' A' ' 58' ' ' ILE . 23.7 mmmt -88.48 7.09 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.796 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.0 p 59.22 34.18 23.0 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 98' ' ' GLY . . . 97.45 -9.17 64.65 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.424 -0.894 . . . . 0.0 113.965 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CE2' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -165.65 149.8 8.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.723 0.773 . . . . 0.0 112.335 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.937 HG23 ' HE2' ' A' ' 54' ' ' LYS . 2.2 mp -104.25 147.31 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.073 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' CG ' ' HD3' ' A' ' 96' ' ' LYS . 9.4 mt-10 -97.96 128.42 44.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.792 0.806 . . . . 0.0 111.426 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 82' ' ' THR . 3.6 pt-20 -33.77 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 113.933 -1.485 . . . . 0.0 112.258 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 20.9 m-20 -70.86 -51.87 23.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 0.0 110.504 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -79.31 -18.11 53.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.503 179.277 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.905 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -49.44 -32.45 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 110.651 179.655 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.418 ' HA2' ' HB2' ' A' ' 77' ' ' LEU . . . -68.54 -20.39 73.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.075 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 37.8 t -86.1 -61.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.64 HG21 HG21 ' A' ' 58' ' ' ILE . 9.2 tp -51.34 -24.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.905 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -45.42 -51.25 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.71 -15.34 0.17 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.35 -52.36 13.83 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.854 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.529 ' O ' HD13 ' A' ' 15' ' ' ILE . 3.0 p90 -98.09 -43.6 6.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.714 0.769 . . . . 0.0 109.374 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' ALA . 2.4 m -73.56 2.39 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.335 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.51 -24.24 0.3 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.914 -0.491 . . . . 0.0 111.715 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.7 -24.03 20.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.843 0.354 . . . . 0.0 111.154 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -110.6 -161.13 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.456 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -79.35 -173.51 3.72 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.284 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.31 -179.93 3.81 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.644 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.776 HD11 HD23 ' A' ' 85' ' ' LEU . 4.3 tp -72.41 108.88 5.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 m -94.96 -175.34 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.47 30.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 110.5 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 84' ' ' THR . 95.7 mttt -56.07 -53.66 54.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.009 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 85' ' ' LEU . 26.9 mt-10 -69.13 -37.61 78.42 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 60' ' ' GLU . 88.5 m -54.54 -50.0 68.93 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.369 -0.933 . . . . 0.0 108.52 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.858 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -77.15 -31.92 55.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.461 177.599 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.7 m -88.21 -58.14 2.67 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.778 HD22 ' HB2' ' A' ' 26' ' ' HIS . 52.1 tp -77.91 -48.98 15.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.464 ' HE3' ' O ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -66.12 -52.11 51.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.596 -179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -61.19 -29.62 69.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.042 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.71 -64.59 1.12 Allowed 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.415 178.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.46 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -45.17 -43.62 9.33 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.676 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 7.0 p-10 -82.41 39.44 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.746 0.419 . . . . 0.0 111.332 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 1.9 tmtp? -28.75 -36.54 0.01 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASP . 5.9 m-20 -55.79 -18.05 7.57 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.07 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.07 52.3 8.02 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.591 -0.337 . . . . 0.0 112.899 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.2 1.27 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.343 0.127 . . . . 0.0 111.343 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.96 10.58 56.43 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.011 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 64.5 mttt -151.23 164.24 37.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.641 -0.28 . . . . 0.0 110.774 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.422 HG23 HD21 ' A' ' 105' ' ' LEU . 31.0 mt -126.03 117.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.645 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -118.27 -177.34 17.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.42 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.64 -33.71 11.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.898 0.38 . . . . 0.0 111.259 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.69 -51.24 23.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.261 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.424 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -73.32 -30.84 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.559 ' HA ' HD11 ' A' ' 105' ' ' LEU . 3.1 t80 -52.56 -25.53 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.469 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -78.43 -38.9 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 91' ' ' LYS . 1.8 m -62.36 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.56 -27.3 10.53 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.053 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.8 t -68.7 -34.43 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.915 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.58 -26.92 37.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.75 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -58.6 -79.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.228 179.732 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 20.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.951 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.802 0.334 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.584 ' HB2' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER 53.88 57.12 6.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -96.8 -27.9 14.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.276 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.57 -27.59 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.448 HD12 ' CE ' ' A' ' 2' ' ' MET . 1.4 mt -102.69 -46.22 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.902 ' CD2' HG12 ' A' ' 43' ' ' VAL . 28.3 mt -86.55 143.04 27.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.269 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -53.98 110.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.49 80.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.737 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 12.8 pt-20 -70.26 -48.24 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.272 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 1.3 m-20 -54.67 -52.65 61.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.43 0.633 . . . . 0.0 111.239 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.701 HG22 HD12 ' A' ' 15' ' ' ILE . 9.2 mt -56.33 -53.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.229 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -63.14 -32.95 74.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.524 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mtpt -67.28 -53.78 26.73 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.48 63.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.916 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.701 HD12 HG22 ' A' ' 11' ' ' ILE . 7.8 mt -57.67 -48.37 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.802 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.14 -19.59 69.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.761 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.28 -4.85 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -119.18 96.18 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.7 p -91.44 -48.66 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -99.76 -43.88 6.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.17 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . . . -39.26 -67.4 0.22 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.647 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -72.28 -21.83 61.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.083 0.468 . . . . 0.0 109.959 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.503 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.2 t -50.66 -44.93 57.74 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.85 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 5.7 p90 -96.06 -32.03 12.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.069 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -147.94 95.72 2.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.566 ' ND1' ' CD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -70.92 -19.13 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.223 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -45.7 -53.5 9.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.937 0.399 . . . . 0.0 110.766 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -60.04 -43.21 95.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.459 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 1.8 t80 -59.7 -27.57 66.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.668 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -63.11 -26.89 69.04 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.228 0.537 . . . . 0.0 109.848 177.814 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.52 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.7 mt-30 -85.45 -45.63 11.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 18.2 mmt -72.23 -26.49 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.508 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.56 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 12.1 p -67.67 -24.53 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.57 21.37 40.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.455 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -73.98 -36.95 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.651 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.8 mtpp -75.4 -23.14 57.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.748 178.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -43.26 -41.82 4.1 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.338 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 5' ' ' LEU . 11.0 ttmt -101.32 -144.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.865 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.685 ' O ' HG22 ' A' ' 43' ' ' VAL . 64.8 m -118.79 160.93 20.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -50.67 -27.56 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.53 -56.74 7.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 7.8 m-20 -60.53 -48.48 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 111.035 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.902 HG12 ' CD2' ' A' ' 6' ' ' LEU . 16.9 m -61.79 -36.89 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 109.78 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 28.2 mttt -54.57 -29.32 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.307 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB2' HD13 ' A' ' 5' ' ' LEU . 18.3 mmtp -55.73 -41.66 74.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.028 -177.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.9 p -57.3 -26.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.473 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 23.6 t80 -49.46 -45.01 46.16 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -69.19 -29.44 67.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 0.0 109.78 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.5 mm -69.53 -50.71 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.748 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -86.61 -30.67 21.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.533 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HA ' ' CG ' ' A' ' 54' ' ' LYS . 11.0 t70 -95.25 44.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 21.4 ptmt -70.23 -49.09 53.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.645 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 4.9 p-10 -113.5 -2.98 13.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.867 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 39.1 mmtm -59.47 -16.35 23.49 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.139 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 14.4 t 77.64 34.92 0.33 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.767 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.85 -9.21 57.35 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.464 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 86.6 m-85 -134.87 135.5 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.004 0.402 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.567 ' CG2' HD22 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -104.56 120.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.163 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.9 mt-10 -103.46 133.12 49.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.808 -177.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -34.46 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.599 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' GLU . 7.1 m-20 -65.36 -51.34 61.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -88.11 -21.34 24.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.232 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.8 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.9 -48.46 60.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.907 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.848 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -66.06 -26.39 72.38 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.865 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 34.2 t -80.88 -60.42 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.339 0.59 . . . . 0.0 109.425 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.475 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.8 tp -51.5 -22.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.174 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -46.15 -49.67 16.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.6 -13.02 0.11 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.13 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.05 21.04 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 119.534 -1.317 . . . . 0.0 110.484 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.537 ' CE2' HD13 ' A' ' 67' ' ' LEU . 1.1 p90 -98.15 -46.02 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.77 0.795 . . . . 0.0 109.229 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.4 m -71.02 2.13 4.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.065 -1.425 . . . . 0.0 113.696 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.3 p -44.93 -25.52 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.403 0.547 . . . . 0.0 111.582 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.4 m-20 -103.63 34.62 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.597 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -171.69 -158.88 0.14 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.332 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' SER . 31.5 mmt180 -84.4 -172.45 4.17 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.869 0.366 . . . . 0.0 111.467 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -119.55 -163.39 0.98 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.848 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -96.36 127.16 42.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' THR . 46.7 t -105.85 -169.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.0 111.045 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -48.73 -51.14 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 97.9 mttt -55.72 -44.24 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.795 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.3 mt-10 -75.24 -27.22 59.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 86' ' ' MET . 96.0 m -63.57 -48.94 75.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.834 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.2 mmmm -75.89 -32.57 59.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.832 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.553 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 91.3 m -87.95 -57.6 2.88 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.517 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 9.4 tp -78.26 -50.72 11.33 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.545 ' HA ' HD11 ' A' ' 97' ' ' ILE . 7.0 ttp -65.81 -47.98 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.108 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -67.23 -36.96 82.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.97 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -59.39 -61.14 2.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.589 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.458 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -55.78 -42.45 85.61 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.477 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.467 ' HA ' ' CG ' ' A' ' 101' ' ' GLU . 25.3 t70 -96.32 38.63 1.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.851 ' CD ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -31.56 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ASP . 17.1 m-20 -57.83 -18.81 24.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.266 0.485 . . . . 0.0 111.097 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.5 64.13 2.33 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.571 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.34 -7.56 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' A' ' 86' ' ' MET . . . 87.33 -7.7 79.76 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.111 -1.042 . . . . 0.0 112.9 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -146.86 154.81 41.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.565 0.346 . . . . 0.0 110.274 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.545 HD11 ' HA ' ' A' ' 86' ' ' MET . 57.2 mt -104.13 112.27 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.514 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 102' ' ' PHE . . . -88.67 -176.4 46.97 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.755 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.473 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 12.6 p -65.68 -31.69 54.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.634 0.254 . . . . 0.0 111.367 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -72.42 -54.05 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 110.578 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.16 -26.73 65.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.34 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 98' ' ' GLY . 24.1 t80 -52.57 -28.66 21.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.01 0.434 . . . . 0.0 109.906 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.431 ' OG ' ' CB ' ' A' ' 40' ' ' ALA . 43.8 t -77.1 -36.46 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.086 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.851 HG21 ' CD ' ' A' ' 91' ' ' LYS . 70.5 m -60.45 -32.76 71.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.756 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.629 HD13 ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -58.21 -35.08 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.53 -35.26 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.76 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.536 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.36 -69.24 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.211 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.0 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.733 0.302 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.579 ' CE ' HD13 ' A' ' 5' ' ' LEU . 5.5 mmt -55.62 121.25 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.2 p -127.95 -40.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.373 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -84.87 -23.8 28.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 5' ' ' LEU . 2.9 mp -100.25 -70.18 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.844 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.806 HD21 HG12 ' A' ' 43' ' ' VAL . 63.1 mt -75.82 147.01 39.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.254 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.593 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.35 109.32 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.844 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.01 89.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.175 0.512 . . . . 0.0 110.875 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 25.6 tt0 -57.51 -41.51 80.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 1.5 m-20 -69.78 -52.27 26.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.435 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 7' ' ' SER . 7.4 mt -53.97 -34.73 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.374 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -70.09 -51.47 31.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.812 0.339 . . . . 0.0 110.617 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HE3' ' HG3' ' A' ' 9' ' ' GLU . 31.8 mttt -69.46 -52.23 28.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.319 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.49 68.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.736 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.568 HD13 ' O ' ' A' ' 70' ' ' PHE . 12.0 mt -66.94 -50.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.231 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.68 -4.47 72.91 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.603 -0.808 . . . . 0.0 114.111 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -81.43 -48.84 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.362 0.581 . . . . 0.0 111.891 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -136.68 63.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 112.032 -179.229 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 74' ' ' ALA . 68.4 p -50.49 -47.42 57.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.265 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -45.72 -51.65 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.331 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 18' ' ' PHE . . . -51.45 -49.27 62.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.293 0.568 . . . . 0.0 109.883 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -66.16 -32.75 74.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.884 178.232 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.4 t -56.93 -54.26 48.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 25.4 p90 -96.2 -8.92 31.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.442 ' CA ' ' OE2' ' A' ' 81' ' ' GLU . 2.3 m-20 -170.35 92.74 0.2 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.536 ' H ' HD21 ' A' ' 85' ' ' LEU . 67.9 m-70 -70.16 -14.57 62.7 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.568 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -49.7 -52.0 34.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.702 0.287 . . . . 0.0 110.577 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -59.29 -47.17 86.38 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.694 ' O ' HG12 ' A' ' 33' ' ' VAL . 36.0 t80 -54.76 -36.2 64.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.426 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -52.65 -32.24 41.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.264 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.1 mt-30 -83.77 -45.42 13.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.047 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.453 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -72.39 -34.38 67.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.708 HG11 HD12 ' A' ' 35' ' ' LEU . 14.5 p -64.65 -21.21 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.698 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.67 58.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.772 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.708 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -63.66 -33.6 75.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.7 mtpp -81.94 -23.13 36.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.584 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 2.8 tmtp? -48.44 -42.46 32.46 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.135 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 10.0 mmpt? -101.33 -179.86 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.899 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -86.99 162.57 17.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.279 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -50.49 -30.39 12.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.794 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 8.3 m-20 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' CB ' ' HB3' ' A' ' 38' ' ' LYS . 8.1 m-20 -62.37 -52.92 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.806 HG12 HD21 ' A' ' 6' ' ' LEU . 35.9 m -57.7 -38.49 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.622 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 72.8 mttt -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.466 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 1.2 mptm? -58.77 -53.12 61.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.108 0.48 . . . . 0.0 110.126 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 43' ' ' VAL . 2.3 p -51.7 -25.83 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.979 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.515 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 36.4 t80 -51.84 -61.74 2.07 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.455 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -64.72 -33.04 75.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.7 mt -53.49 -49.04 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.612 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.567 HD11 ' OD2' ' A' ' 51' ' ' ASP . 3.9 pp -87.88 -30.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.921 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.567 ' OD2' HD11 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -120.13 58.93 0.9 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.177 -0.327 . . . . 0.0 110.987 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -35.1 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.587 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -114.13 26.06 10.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.761 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 71.4 mmtt -97.36 -3.11 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 10.9 t 76.19 11.65 2.86 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.15 16.3 35.72 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.378 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -155.67 135.13 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.589 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.591 ' CG2' HD22 ' A' ' 63' ' ' LEU . 3.4 mt -104.91 138.11 31.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.355 0.598 . . . . 0.0 110.885 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 62' ' ' GLU . 3.4 mm-40 -105.65 129.0 53.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.241 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -34.92 -32.71 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.471 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.7 m-20 -66.56 -50.46 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 109.997 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 15.8 mm-40 -85.68 -19.55 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.526 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.591 HD22 ' CG2' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -52.3 -53.5 43.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.037 0.446 . . . . 0.0 110.42 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.769 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -60.88 -21.3 58.5 Favored Glycine 0 C--N 1.318 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.171 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.539 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.3 m -82.78 -61.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.482 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 5.5 tp -54.26 -18.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.438 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -44.13 -49.08 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.267 179.126 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -51.36 -16.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.308 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.62 -49.63 15.81 Favored Glycine 0 C--N 1.341 0.812 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.331 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.568 ' O ' HD13 ' A' ' 15' ' ' ILE . 9.8 p90 -96.77 -51.07 4.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 78.7 p -67.63 2.96 1.56 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 113.985 -1.461 . . . . 0.0 114.478 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.3 p -44.83 -24.57 0.22 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.728 0.695 . . . . 0.0 111.504 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.26 -26.02 16.11 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 110.639 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -108.33 -166.97 1.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' SER . 99.5 mtt180 -83.95 -179.98 7.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.004 0.431 . . . . 0.0 111.736 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 67' ' ' LEU . 8.7 m-20 -93.02 -170.22 2.36 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.403 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.769 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.2 OUTLIER -93.04 136.54 33.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.4 p -105.52 -175.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.61 -50.22 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.146 0.498 . . . . 0.0 110.81 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 84' ' ' THR . 6.6 mtpm? -50.57 -51.97 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.55 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.9 mm-40 -71.5 -32.45 68.23 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.451 ' OG1' HD11 ' A' ' 77' ' ' LEU . 35.0 m -55.65 -49.21 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.761 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 5.1 mmpt? -76.94 -43.21 36.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.084 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 86.6 m -74.55 -54.97 6.45 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -175.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD21 ' H ' ' A' ' 26' ' ' HIS . 3.6 mm? -73.85 -43.24 59.27 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.515 ' HE1' HD23 ' A' ' 63' ' ' LEU . 14.2 mtp -72.75 -50.94 21.29 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.379 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -62.85 -30.2 71.33 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.944 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -70.13 -58.3 3.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.707 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.46 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -56.32 -35.76 66.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.294 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.0 p30 -95.01 38.79 1.12 Allowed 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 122.407 0.283 . . . . 0.0 110.718 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.781 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.32 -36.21 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -178.555 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -57.27 -18.33 16.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.717 0.294 . . . . 0.0 111.42 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.26 60.09 2.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 116.395 -0.366 . . . . 0.0 112.888 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -113.61 -9.54 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.15 -26.12 9.23 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.212 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -126.35 157.25 38.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.546 0.338 . . . . 0.0 110.263 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 86' ' ' MET . 33.0 mt -106.3 112.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.045 0.45 . . . . 0.0 111.616 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.83 25.83 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.743 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.515 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 10.8 p -47.86 -35.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.493 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -72.74 -54.35 9.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.47 0.652 . . . . 0.0 110.158 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -59.61 -32.72 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.11 -179.654 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -52.2 -25.43 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.197 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.3 p -70.27 -45.1 67.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.781 HG21 ' CB ' ' A' ' 91' ' ' LYS . 88.1 m -58.19 -38.53 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.219 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.736 HD13 ' CE2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -53.01 -36.71 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.414 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.82 -42.14 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.37 -26.57 46.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.55 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -57.39 -69.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.755 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 7.2 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.796 0.332 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.523 ' SD ' HD12 ' A' ' 5' ' ' LEU . 6.1 tpp 52.62 65.63 1.46 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.526 HG23 ' HB2' ' A' ' 8' ' ' ALA . 92.9 m -110.28 -43.95 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.04 -17.4 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.523 HD12 ' SD ' ' A' ' 2' ' ' MET . 3.5 mt -108.21 -70.77 0.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.191 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.599 HD21 HG12 ' A' ' 43' ' ' VAL . 56.6 mt -84.8 140.93 30.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 11' ' ' ILE . 7.2 p -52.65 110.21 0.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.526 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -63.98 -44.22 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.35 -41.67 84.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 11.0 t0 -56.01 -52.54 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.595 ' HA ' HG23 ' A' ' 33' ' ' VAL . 10.8 mt -56.53 -53.69 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.134 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.49 -45.14 94.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.477 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.643 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 15.6 mtpp -64.08 -52.44 59.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.284 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 32' ' ' MET . . . -66.06 -44.05 85.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.779 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.581 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 8.7 mt -54.47 -48.65 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -9.13 58.05 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.593 -0.813 . . . . 0.0 114.146 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -64.78 -57.07 9.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.512 0.656 . . . . 0.0 111.688 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -134.17 70.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.8 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 p -41.73 -34.73 0.66 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 111.422 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -49.49 -43.67 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 18' ' ' PHE . . . -48.76 -64.97 0.65 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.074 0.464 . . . . 0.0 110.024 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.16 -22.54 66.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.686 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 3.3 t -61.78 -53.92 49.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.725 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 26.3 p90 -95.47 -41.18 9.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.471 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.6 m-20 -152.6 107.75 3.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 111.761 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.536 ' HB3' HD22 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -69.86 -14.32 62.69 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 26.3 mmmt -50.7 -51.09 52.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -59.71 -44.21 93.79 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 33' ' ' VAL . 27.7 t80 -57.27 -37.0 71.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.218 178.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HZ ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.6 -28.47 21.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.194 0.521 . . . . 0.0 109.691 178.725 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 37.2 mt-30 -83.31 -49.05 9.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.17 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 14.0 mmt -71.67 -27.73 63.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.899 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.045 HG11 HD12 ' A' ' 35' ' ' LEU . 14.2 p -70.59 -24.98 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.425 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' OD2' ' A' ' 10' ' ' ASP . . . 89.27 20.53 45.09 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.598 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.045 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -70.84 -26.98 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.255 0.55 . . . . 0.0 109.732 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.3 mtpp -83.77 5.95 23.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.705 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -52.14 -55.33 21.64 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 110.719 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -124.63 -173.21 2.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.281 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 m -55.1 173.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -67.24 -20.13 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -63.07 -44.87 94.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 5.0 m-20 -61.03 -52.53 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.709 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.599 HG12 HD21 ' A' ' 6' ' ' LEU . 28.6 m -61.04 -42.1 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.306 0.574 . . . . 0.0 110.423 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 43' ' ' VAL . 34.8 ttmt -52.47 -30.3 29.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.754 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CB ' HD13 ' A' ' 5' ' ' LEU . 1.7 mptm? -58.9 -45.29 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.777 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 43' ' ' VAL . 1.5 p -62.58 -27.43 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CD1' ' CE1' ' A' ' 102' ' ' PHE . 10.0 t80 -60.79 -30.5 70.09 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -72.35 -30.73 65.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.51 -48.51 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.206 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.0 pp -86.44 -35.18 19.84 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.424 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 47' ' ' PHE . 11.7 t70 -106.42 52.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.664 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.6 -54.33 12.43 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.512 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 4.0 p30 -116.62 23.17 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' PHE . 26.6 tptp -84.28 -1.54 55.47 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 8.4 t 82.83 15.06 0.38 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 -13.36 54.35 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.397 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 86.6 m-85 -128.33 127.52 42.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.689 ' HB ' HD21 ' A' ' 63' ' ' LEU . 7.3 mt -104.14 142.22 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.419 0.628 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -104.68 142.4 34.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.514 -176.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.726 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.8 pt-20 -38.13 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.344 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 m-20 -69.15 -51.78 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.66 0.267 . . . . 0.0 111.195 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.3 mp0 -85.27 -26.76 26.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 110.094 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.738 ' O ' HD23 ' A' ' 67' ' ' LEU . 16.0 mt -46.67 -49.8 18.75 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.685 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -68.37 -26.48 74.24 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.512 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 54.6 m -82.56 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 0.0 109.574 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.77 HG22 ' O ' ' A' ' 62' ' ' GLU . 7.5 tp -56.72 -16.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.955 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.884 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -61.12 -44.4 97.4 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -59.51 -8.3 1.82 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.572 -0.451 . . . . 0.0 112.151 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 68' ' ' LYS . . . -49.22 -43.68 33.71 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.422 -1.37 . . . . 0.0 110.12 176.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.884 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.5 p90 -97.31 -47.83 5.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.224 0.535 . . . . 0.0 109.681 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' ALA . 7.7 m -71.07 -0.14 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.505 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.9 p -46.49 -25.25 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -96.76 27.66 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.229 0.538 . . . . 0.0 110.572 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -150.47 -79.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.269 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 23' ' ' SER . 13.3 ptp180 -170.18 -158.59 0.17 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.04 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -111.7 -173.55 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.339 0.59 . . . . 0.0 112.106 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.499 ' HB3' ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -117.79 84.65 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.966 -179.594 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.0 p -69.99 -173.72 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.74 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -48.63 29.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.288 0.566 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.8 ttmt -50.16 -52.98 30.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.235 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 84' ' ' THR . 3.4 mm-40 -71.02 -30.82 67.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.673 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 86' ' ' MET . 62.8 m -61.5 -48.73 79.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 15.7 mmtp -75.33 -28.48 59.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.145 177.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.481 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 86.8 m -87.51 -57.49 2.93 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 26' ' ' HIS . 46.3 tp -81.66 -52.03 7.59 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.727 ' HG2' HD13 ' A' ' 63' ' ' LEU . 9.3 tpp -60.92 -51.47 69.13 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.304 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -54.63 -25.81 28.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.687 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' A' ' 27' ' ' LYS . . . -78.04 -59.37 2.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.235 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.656 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -50.25 -44.63 43.9 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.622 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.4 p30 -89.79 38.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.541 0.336 . . . . 0.0 110.239 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -30.05 -34.5 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.533 1.133 . . . . 0.0 113.451 -178.706 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.4 m-20 -54.71 -19.97 7.34 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.636 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.07 50.78 3.36 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 116.278 -0.419 . . . . 0.0 113.621 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -113.3 -10.59 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.8 0.3 . . . . 0.0 111.417 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.39 -14.47 28.76 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.57 -0.824 . . . . 0.0 114.436 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 80.7 mttt -121.58 142.55 50.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.823 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 105' ' ' LEU . 27.6 mt -105.48 140.46 23.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' HA2' ' CZ ' ' A' ' 47' ' ' PHE . . . -146.4 -171.78 16.1 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.956 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.4 t -48.28 -61.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 0.0 110.988 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.6 -51.24 67.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.235 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -29.24 69.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.953 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.681 ' CD1' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -54.63 -22.58 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -73.84 -42.77 60.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.069 0.461 . . . . 0.0 109.862 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 91' ' ' LYS . 40.6 m -61.5 -42.13 98.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.571 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.681 HD11 ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -52.94 -28.26 22.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.559 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.3 t -68.84 -37.96 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.012 0.434 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.45 -22.92 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.883 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' OE1' ' CA ' ' A' ' 88' ' ' ALA . 12.5 mm-40 -64.96 -72.11 0.16 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.162 0.506 . . . . 0.0 111.354 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 3.3 t . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 3' ' ' THR . 57.2 m . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.492 ' HE2' HG21 ' A' ' 46' ' ' VAL . 3.6 mtm -67.36 63.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.668 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.453 HG23 ' HB2' ' A' ' 8' ' ' ALA . 60.9 m -100.33 -34.49 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.9 -22.63 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 45' ' ' LYS . 24.8 mt -85.5 -64.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.154 0.502 . . . . 0.0 111.101 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.846 ' HB2' HD11 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -89.12 173.07 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.414 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.84 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.4 m -76.02 110.36 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.143 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -57.25 -36.29 70.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.455 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.13 -44.83 71.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -62.19 -52.6 63.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 111.674 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.846 HD11 ' HB2' ' A' ' 6' ' ' LEU . 4.4 mt -55.5 -51.33 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -58.36 -49.38 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.406 . . . . 0.0 110.547 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 80.1 mttt -63.27 -50.05 71.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HB1' ' HD1' ' A' ' 29' ' ' PHE . . . -66.02 -51.84 54.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.979 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 70' ' ' PHE . 8.2 mt -55.92 -35.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.669 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.07 -45.39 3.87 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.283 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -62.99 -20.98 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' HB3' ' CB ' ' A' ' 22' ' ' ASP . 11.3 m-85 -89.82 99.45 12.45 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 20' ' ' ALA . 9.3 t -91.5 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' N ' HG23 ' A' ' 19' ' ' THR . . . -99.69 -56.58 2.35 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.391 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -42.53 -66.36 0.37 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 111.799 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.619 ' OD1' ' CE1' ' A' ' 26' ' ' HIS . 9.7 t70 -61.88 -19.63 62.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -67.63 -52.94 32.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.561 179.44 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 31.5 p90 -96.74 -11.17 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HA ' ' OE1' ' A' ' 81' ' ' GLU . 38.0 t70 -164.03 95.73 0.78 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.619 ' CE1' ' OD1' ' A' ' 22' ' ' ASP . 40.9 m-70 -71.35 -12.68 61.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.84 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' HD11 ' A' ' 85' ' ' LEU . 1.2 mtpp -46.9 -54.1 10.73 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.273 -0.267 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.06 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' ' 33' ' ' VAL . 21.2 t80 -51.93 -33.29 36.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.819 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.737 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.32 -33.58 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.841 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.642 ' HB2' ' HE3' ' A' ' 32' ' ' MET . 21.1 mt-30 -84.0 -42.94 15.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.642 ' HE3' ' HB2' ' A' ' 31' ' ' GLN . 20.9 mmt -72.15 -33.43 67.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.567 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.815 HG11 HD12 ' A' ' 35' ' ' LEU . 13.2 p -66.04 -23.88 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.173 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.83 13.53 49.79 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.815 HD12 HG11 ' A' ' 33' ' ' VAL . 2.0 mt -63.81 -33.16 75.05 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.4 mtpp -90.01 -15.72 31.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.494 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HD2' ' OG ' ' A' ' 7' ' ' SER . 61.1 tttp -38.62 -35.54 0.2 Allowed 'General case' 0 C--N 1.34 0.185 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -121.31 -99.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -146.31 178.88 7.91 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.79 0.328 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -65.4 -28.85 69.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.183 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 3.0 p30 -63.92 -50.16 69.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 11.8 m-20 -55.37 -52.63 62.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.26 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.697 HG12 HD23 ' A' ' 35' ' ' LEU . 27.8 m -61.0 -35.42 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.366 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.0 ttpt -50.38 -29.68 10.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.415 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HE2' ' CA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -56.78 -50.76 71.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.426 -178.376 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 43' ' ' VAL . 2.0 p -55.12 -27.56 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.96 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.501 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 31.5 t80 -51.73 -49.27 62.87 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.482 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -67.62 -27.47 66.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.318 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -69.31 -49.36 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.47 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 58' ' ' ILE . 4.6 pp -88.07 -26.42 22.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.914 -178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t70 -90.21 -2.76 58.08 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 49.5 pttt -47.06 -38.46 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 28.8 m-20 -110.23 26.27 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.409 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 71.8 mmtt -115.81 10.47 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.795 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.6 p 57.39 17.34 3.71 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.424 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . 101.29 -4.54 55.02 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.258 -0.973 . . . . 0.0 113.894 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 37.1 m-85 -138.88 133.11 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.31 0.555 . . . . 0.0 111.611 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 50' ' ' LEU . 2.2 mt -103.0 129.79 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 63' ' ' LEU . 11.4 tt0 -103.35 145.89 29.29 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.834 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HA ' ' HG3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -45.2 -45.52 11.72 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.57 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.36 -51.23 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.076 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 66' ' ' ILE . 44.7 mt-10 -78.06 -13.21 59.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.893 ' CD1' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -57.59 -42.93 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.306 -179.236 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.578 ' CA ' HD23 ' A' ' 77' ' ' LEU . . . -65.64 -25.48 71.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.69 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 m -81.94 -58.25 3.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.217 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.6 tp -61.85 -16.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.583 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.893 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -56.78 -32.11 65.32 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.458 0.646 . . . . 0.0 110.686 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.53 -21.76 1.06 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.957 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.61 -53.6 7.0 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.636 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.632 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -96.97 -41.61 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.51 178.37 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.513 ' HG ' ' C ' ' A' ' 67' ' ' LEU . 28.4 p -70.5 0.47 6.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.821 -1.081 . . . . 0.0 113.157 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.0 t -46.06 -25.76 0.63 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 122.083 -0.386 . . . . 0.0 111.071 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 7.7 t70 -90.7 -30.21 17.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.058 0.456 . . . . 0.0 110.141 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -91.73 -152.61 0.3 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.413 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -91.99 -91.25 0.16 Allowed 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.324 -0.235 . . . . 0.0 111.411 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p30 168.5 139.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 111.456 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.578 HD23 ' CA ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER -46.95 92.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.423 178.669 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.8 p -75.83 -171.96 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 83' ' ' LYS . . . -47.6 -50.43 24.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.094 0.473 . . . . 0.0 110.852 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 84' ' ' THR . 54.8 mtmt -50.62 -53.94 26.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.302 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.5 mm-40 -72.19 -26.64 62.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 52.0 m -61.72 -52.29 64.88 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.211 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.859 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -77.76 -28.19 50.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.441 177.61 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.462 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 87.8 m -87.98 -57.33 2.97 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 27' ' ' LYS . 3.7 mm? -77.73 -49.24 14.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.478 ' HE3' ' O ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -65.81 -50.9 62.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.388 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -60.66 -31.7 70.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.139 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -81.78 -59.18 2.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.726 0.298 . . . . 0.0 110.22 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.589 ' CA ' HD13 ' A' ' 105' ' ' LEU . . . -48.36 -35.39 14.99 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.446 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.4 p-10 -95.59 38.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.587 ' HB3' HG21 ' A' ' 104' ' ' THR . 1.3 tmtm? -29.1 -35.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.543 1.137 . . . . 0.0 113.751 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' ASP . 18.1 t70 -55.34 -19.04 7.64 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.021 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 57.9 3.26 Favored Glycine 0 C--N 1.335 0.503 0 C-N-CA 121.544 -0.36 . . . . 0.0 113.281 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.6 -9.73 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 78.06 -4.5 57.94 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.326 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -140.43 147.27 39.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 90' ' ' ASP . 40.1 mt -104.97 113.53 42.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.961 0.41 . . . . 0.0 111.245 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.48 171.7 17.68 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 7.9 p -47.71 -39.33 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.66 -48.53 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -32.74 72.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.42 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -52.68 -30.45 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.0 t -69.97 -43.06 72.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.587 HG21 ' HB3' ' A' ' 91' ' ' LYS . 32.2 m -57.88 -36.66 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.073 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.677 HD21 ' CE1' ' A' ' 30' ' ' PHE . 11.0 tp -59.02 -36.52 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.16 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.94 -35.31 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.908 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.71 -37.71 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.668 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 15.9 mm-40 -49.87 -71.01 0.07 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 110.648 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.461 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 7.5 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.4 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.799 0.333 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.534 ' HG2' HD12 ' A' ' 6' ' ' LEU . 9.4 tpt 62.24 41.43 10.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.499 HG22 ' CB ' ' A' ' 8' ' ' ALA . 25.2 p -96.99 -21.48 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.494 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.438 ' C ' HD22 ' A' ' 5' ' ' LEU . 9.0 m-20 -69.56 -35.27 75.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 42' ' ' ASP . 1.6 mm? -101.0 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.743 HD21 HG12 ' A' ' 43' ' ' VAL . 68.8 mt -74.41 137.88 42.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.0 p -54.47 110.3 0.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.499 ' CB ' HG22 ' A' ' 3' ' ' THR . . . -60.58 -41.7 95.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.485 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -64.76 -48.94 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.13 -53.22 59.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.418 0.628 . . . . 0.0 111.531 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.713 HD11 ' CB ' ' A' ' 6' ' ' LEU . 10.5 mt -55.76 -53.38 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.201 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.99 -33.37 71.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HD3' ' HG2' ' A' ' 9' ' ' GLU . 16.2 mtpp -73.45 -52.53 13.35 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.386 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -34.29 75.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.732 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' A' ' 74' ' ' ALA . 10.7 mt -73.7 -41.89 54.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.475 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.68 -4.64 59.09 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.617 -0.801 . . . . 0.0 114.485 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -90.55 -50.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.909 0.855 . . . . 0.0 112.636 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -133.79 63.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.436 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.5 p -41.98 -37.53 1.37 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -46.7 -38.77 10.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.909 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.519 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -51.73 -66.47 0.38 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.063 0.458 . . . . 0.0 109.837 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.49 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 14.4 t70 -59.76 -21.05 60.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.618 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.5 t -66.92 -58.28 5.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 36.0 p90 -95.79 -39.58 9.78 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.5 m-20 -148.34 98.74 2.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 111.47 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.789 ' H ' HD21 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -70.07 -18.99 63.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.91 -52.11 15.25 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.099 -0.376 . . . . 0.0 110.15 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE3' ' CA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -60.65 -46.8 88.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.136 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 1.6 t80 -55.36 -29.43 58.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.172 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.644 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -64.45 -27.4 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.82 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 48.2 mt-30 -83.16 -52.72 6.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.751 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.447 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 22.4 mtt -68.64 -29.37 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 111.238 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.988 HG11 HD12 ' A' ' 35' ' ' LEU . 11.3 p -65.86 -24.55 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 87.27 24.13 38.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.665 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.988 HD12 HG11 ' A' ' 33' ' ' VAL . 3.9 mt -70.09 -27.97 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.155 0.503 . . . . 0.0 109.766 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -92.28 -6.8 49.67 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 178.674 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -44.05 -28.39 0.48 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -133.93 -100.99 0.25 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.489 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB2' ' OD2' ' A' ' 41' ' ' ASP . 61.2 m -146.22 179.18 7.68 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.799 0.333 . . . . 0.0 111.367 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -62.7 -31.75 72.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 39' ' ' SER . 2.8 p30 -63.97 -36.94 85.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.677 ' HA ' HD12 ' A' ' 5' ' ' LEU . 7.6 m-20 -69.81 -52.48 24.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.576 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.743 HG12 HD21 ' A' ' 6' ' ' LEU . 35.4 m -61.0 -36.12 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.7 mttm -52.01 -27.14 12.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.182 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' CG ' ' HG ' ' A' ' 5' ' ' LEU . 14.2 mptt -56.12 -29.37 60.59 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.048 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.06 -33.37 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.4 t80 -55.75 -33.84 64.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.058 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.403 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 39.8 t-80 -72.32 -27.29 62.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 45' ' ' LYS . 23.4 mm -78.17 -49.36 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.2 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.778 HD21 ' HA3' ' A' ' 69' ' ' GLY . 16.1 mt -79.07 -41.72 28.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.935 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.531 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . 12.1 t70 -106.73 47.75 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.98 -49.77 41.67 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.7 p30 -115.62 19.65 15.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HD3' HG23 ' A' ' 58' ' ' ILE . 48.2 mttm -90.73 12.32 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m 66.19 34.86 6.4 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.03 3.84 57.38 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.375 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.405 ' CD1' ' HA3' ' A' ' 98' ' ' GLY . 86.9 m-85 -139.9 134.32 31.45 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.757 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.664 ' HB ' HD22 ' A' ' 63' ' ' LEU . 10.8 mt -104.4 142.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.879 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.4 mt-10 -103.39 133.19 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.813 0.816 . . . . 0.0 111.805 -177.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HA ' ' CE ' ' A' ' 86' ' ' MET . 2.0 pt-20 -33.93 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.176 -1.375 . . . . 0.0 113.086 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.2 m-20 -70.1 -52.01 27.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.533 ' O ' HG22 ' A' ' 66' ' ' ILE . 14.7 mm-40 -83.75 -17.65 40.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.787 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -51.55 -54.55 26.22 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.406 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' ASP . . . -67.03 -19.69 70.17 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.239 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -87.95 -55.96 3.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.525 0.679 . . . . 0.0 109.898 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 62' ' ' GLU . 3.7 tp -64.3 -17.75 21.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.872 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.86 HD13 HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -53.42 -22.87 8.44 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.263 0.554 . . . . 0.0 110.708 178.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 72' ' ' SER . 47.7 mtpt -49.31 -18.99 0.43 Allowed 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.995 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.778 ' HA3' HD21 ' A' ' 50' ' ' LEU . . . -41.58 -50.56 4.8 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.034 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.71 -53.3 3.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.641 0.734 . . . . 0.0 109.773 177.117 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 p -70.82 1.84 4.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.7 p -44.79 -23.9 0.17 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.369 0.531 . . . . 0.0 111.877 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -120.53 51.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.842 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -162.58 -91.45 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -150.38 -170.52 3.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.73 0.3 . . . . 0.0 111.304 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 4.5 p-10 -128.14 150.12 50.12 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.119 0.485 . . . . 0.0 111.959 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.071 HD11 ' HE3' ' A' ' 86' ' ' MET . 0.1 OUTLIER -68.75 112.89 5.75 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.974 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' THR . 39.3 t -102.59 -165.21 1.16 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.738 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -52.21 20.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.498 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -53.19 -47.82 68.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.206 0.527 . . . . 0.0 110.097 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.816 ' HB2' HD12 ' A' ' 77' ' ' LEU . 2.0 mm-40 -72.47 -24.93 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.669 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' SER . 36.3 m -61.95 -50.73 70.97 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.788 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 10.8 mtpp -76.92 -30.3 56.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.043 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.489 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 58.5 m -87.35 -56.6 3.29 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD21 ' H ' ' A' ' 26' ' ' HIS . 3.5 mm? -80.48 -53.15 6.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . 1.071 ' HE3' HD11 ' A' ' 77' ' ' LEU . 32.9 mtt -61.01 -50.95 71.3 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 119.131 -1.028 . . . . 0.0 110.183 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -58.17 -25.58 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.004 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -82.2 -65.45 1.01 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.004 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -52.37 -34.31 41.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.662 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' ASP . 39.2 t0 -95.19 38.22 1.14 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.051 -0.575 . . . . 0.0 110.973 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.835 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -31.16 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.518 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.9 t70 -56.34 -19.84 16.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.536 0.208 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.47 48.97 5.1 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.757 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -113.84 -10.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.105 0.453 . . . . 0.0 111.745 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.418 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 87.42 -25.07 8.51 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.394 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 73.9 mttt -115.2 144.53 43.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.409 0.284 . . . . 0.0 110.51 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.426 HG12 ' HB2' ' A' ' 90' ' ' ASP . 36.5 mt -105.0 111.76 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.345 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 57' ' ' PHE . . . -93.61 -160.8 35.27 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.653 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.487 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 9.9 p -68.42 -37.91 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.751 0.31 . . . . 0.0 111.248 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.475 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -72.93 -53.49 11.16 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.375 0.607 . . . . 0.0 110.252 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.413 ' HG2' ' OD1' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -54.59 -38.04 66.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.399 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.11 -25.45 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 109.952 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.8 m -73.24 -45.49 55.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.327 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.835 HG21 ' CB ' ' A' ' 91' ' ' LYS . 89.0 m -57.63 -36.91 72.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 110.438 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.644 HD13 ' CE2' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -55.58 -37.4 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.36 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.96 -37.48 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.347 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.0 -27.95 39.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.389 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.83 -69.97 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.784 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.44 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.42 ' CB ' HG21 ' A' ' 49' ' ' ILE . 50.2 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.881 0.372 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.546 ' HG2' HD12 ' A' ' 6' ' ' LEU . 9.7 tpt -74.96 64.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.538 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 8' ' ' ALA . 92.8 m -116.54 -27.13 6.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.593 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.525 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 5.4 mp -109.92 -66.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.353 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.546 HD12 ' HG2' ' A' ' 2' ' ' MET . 76.9 mt -73.98 137.42 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.344 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.401 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 19.7 m -64.2 111.11 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.841 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.439 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -52.58 -27.07 15.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.223 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' HG3' ' HD3' ' A' ' 13' ' ' LYS . 4.3 tp10 -69.29 -48.73 60.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.508 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 0.9 OUTLIER -59.3 -53.28 60.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.521 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 6' ' ' LEU . 25.7 mt -56.13 -53.25 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -59.62 -31.81 69.84 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.16 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 38.8 mtpt -70.94 -53.28 15.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.163 0.506 . . . . 0.0 110.763 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -69.35 -40.57 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.764 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.064 HG23 ' HB2' ' A' ' 74' ' ' ALA . 10.5 mm -55.77 -48.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.433 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.63 -38.99 4.53 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 115.345 0.898 . . . . 0.0 115.345 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -36.77 -43.02 0.41 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.947 ' CD1' ' HB3' ' A' ' 21' ' ' ALA . 6.2 p90 -118.12 146.91 43.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.368 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 m -93.47 -49.75 5.76 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -98.68 -13.1 20.44 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.947 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . . . -46.7 -44.14 18.42 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.661 0.664 . . . . 0.0 111.474 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.564 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 7.2 p-10 -70.03 -33.01 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.2 t -69.96 -28.39 65.52 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.558 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 91.9 t80 -95.85 -55.77 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.421 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.401 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 35.0 t0 -162.65 104.81 1.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.217 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.718 ' CE1' ' CD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -66.23 -9.56 33.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.59 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 1.8 mptt -44.86 -56.28 4.67 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.32 0.581 . . . . 0.0 110.579 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.71 -48.95 79.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.428 179.034 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.718 ' CD2' ' CE1' ' A' ' 26' ' ' HIS . 41.4 t80 -49.78 -39.1 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.008 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.855 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -57.93 -32.94 68.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.55 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 16.6 mt-30 -84.04 -39.57 19.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.7 mmm -71.93 -35.71 69.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 111.222 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.743 HG11 HD13 ' A' ' 35' ' ' LEU . 7.6 p -64.99 -24.58 35.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.74 22.65 42.05 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.944 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.743 HD13 HG11 ' A' ' 33' ' ' VAL . 1.5 mp -70.5 -34.69 72.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 4.3 mtpp -75.63 -10.81 59.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.891 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -45.15 -55.07 6.09 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.28 -172.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.814 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -72.2 171.69 11.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.147 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -55.74 -26.88 47.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.85 -40.73 96.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.961 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.534 ' O ' ' HE1' ' A' ' 2' ' ' MET . 16.0 t70 -65.01 -53.0 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 46' ' ' VAL . 23.3 m -61.29 -35.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.391 0.615 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 50.4 tttm -50.46 -26.35 4.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.636 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HB2' ' HE1' ' A' ' 2' ' ' MET . 5.8 mptp? -58.72 -47.41 84.68 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.048 -0.407 . . . . 0.0 110.654 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.7 p -61.92 -27.51 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 40.5 t80 -68.53 -32.75 72.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.586 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -74.29 -32.73 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.42 HG21 ' CB ' ' A' ' 1' ' ' SER . 6.2 mm -69.58 -49.3 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.955 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.9 pp -82.19 -43.71 17.33 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.543 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.53 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.1 t70 -93.36 45.56 1.17 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.563 0.22 . . . . 0.0 111.52 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.15 -52.1 26.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.712 0.291 . . . . 0.0 111.296 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 4.5 p-10 -116.43 4.93 13.39 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.462 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HG2' HG12 ' A' ' 58' ' ' ILE . 3.1 tppp? -61.47 -13.31 19.7 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 5.8 p 90.89 17.82 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.054 0.541 . . . . 0.0 112.417 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.65 -13.08 54.35 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.931 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 96.3 m-85 -130.88 125.91 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.281 0.541 . . . . 0.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.698 HG21 HD13 ' A' ' 63' ' ' LEU . 3.7 mt -104.78 136.83 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 121.321 0.582 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' HA ' ' HG3' ' A' ' 96' ' ' LYS . 15.8 mt-10 -102.44 122.73 44.89 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.84 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.87 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -36.48 -33.44 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.015 -1.448 . . . . 0.0 112.574 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 6.6 m-20 -64.62 -50.22 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.431 . . . . 0.0 110.353 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 1.4 mp0 -89.0 -16.21 32.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.389 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.913 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -54.24 -30.34 49.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.715 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -66.16 -25.96 72.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.554 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 t -84.16 -55.52 4.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.813 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.597 HG22 ' HA ' ' A' ' 63' ' ' LEU . 8.4 tp -59.72 -17.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.018 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -50.62 -25.01 3.7 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.981 0.419 . . . . 0.0 111.422 179.474 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.1 mttp -49.11 -20.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.244 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.05 -54.89 5.91 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.136 -1.03 . . . . 0.0 111.964 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.813 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.38 -39.9 8.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.864 0.84 . . . . 0.0 110.038 178.413 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.582 ' HA ' HD12 ' A' ' 15' ' ' ILE . 25.0 p -77.51 2.75 15.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.167 -1.379 . . . . 0.0 113.18 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.2 t -45.3 -26.36 0.51 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.084 -0.385 . . . . 0.0 111.199 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.878 ' OD2' HG21 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -110.12 40.32 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.235 0.541 . . . . 0.0 109.85 178.178 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.064 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -169.43 -160.16 0.25 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.192 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -88.99 -151.47 0.22 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.008 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 8.8 m-20 -142.42 -179.75 6.47 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.262 0.553 . . . . 0.0 111.603 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.715 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -68.35 131.47 45.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.761 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.2 m -103.89 -172.81 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.05 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.94 -51.12 24.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 84' ' ' THR . 59.0 mttp -55.03 -50.53 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.412 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.527 ' HA ' HD23 ' A' ' 85' ' ' LEU . 3.5 mm-40 -66.2 -28.12 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.789 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.87 HG23 ' HB2' ' A' ' 60' ' ' GLU . 58.8 m -59.35 -53.09 62.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.903 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.5 mmmt -78.89 -29.72 44.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.138 177.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 59.3 m -87.51 -58.1 2.7 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 81' ' ' GLU . 2.1 mm? -77.81 -49.92 13.35 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.629 ' SD ' HD13 ' A' ' 77' ' ' LEU . 2.0 mmm -73.12 -49.73 26.69 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.226 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.903 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -61.66 -35.42 77.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.16 -39.07 50.37 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.108 0.48 . . . . 0.0 110.17 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.568 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -67.17 -32.11 79.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.61 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 93' ' ' GLY . 7.5 p30 -93.76 37.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.595 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.5 tmtt? -33.61 -54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.75 37.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.004 0.43 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -128.67 -171.74 13.04 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.707 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -114.05 18.23 17.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 0.0 111.194 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.96 30.96 2.6 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.757 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -151.15 142.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -109.73 110.75 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.768 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.54 -154.5 29.67 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.499 HG13 ' CD ' ' A' ' 100' ' ' GLU . 11.6 p -67.76 -34.87 70.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.499 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.99 -54.07 8.7 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.367 0.604 . . . . 0.0 111.009 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -28.36 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.295 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.505 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.6 t80 -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.343 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 106' ' ' VAL . 86.6 p -78.77 -34.71 45.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.681 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.486 HG21 ' HB3' ' A' ' 91' ' ' LYS . 44.4 m -57.16 -50.2 73.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.85 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.947 HD13 ' N ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -59.0 -24.99 63.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.646 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.947 ' N ' HD13 ' A' ' 105' ' ' LEU . 57.9 t -61.06 -39.96 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 121.082 0.467 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.31 -25.85 55.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.309 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.92 -69.2 0.29 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.24 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -103.37 68.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.399 . . . . 0.0 111.197 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -89.24 -25.66 21.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.39 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.444 ' HB2' HD22 ' A' ' 5' ' ' LEU . 8.9 m-20 -68.22 -29.9 68.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 5' ' ' LEU . 1.7 mm? -102.25 -67.47 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 6' ' ' LEU . 1.4 mt -75.72 156.99 34.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.312 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.431 ' CB ' ' OD1' ' A' ' 10' ' ' ASP . 5.4 m -67.74 111.28 4.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.943 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.19 -31.13 61.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.217 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 10' ' ' ASP . 10.9 pt-20 -74.9 -48.79 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 1.1 m-20 -52.69 -52.65 55.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.362 0.601 . . . . 0.0 111.106 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.644 HG12 HG22 ' A' ' 33' ' ' VAL . 57.9 mt -59.87 -53.96 41.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.477 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -60.48 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 37.4 mttm -63.49 -52.35 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.867 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -48.95 77.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.011 HG23 ' HB2' ' A' ' 74' ' ' ALA . 6.4 mt -54.07 -46.18 66.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.01 -4.01 60.26 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.791 -0.718 . . . . 0.0 114.052 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -76.73 -42.31 41.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.541 0.67 . . . . 0.0 112.074 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.806 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -146.73 140.28 25.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 p -87.46 -16.2 35.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.806 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . . . -45.71 -28.65 1.06 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 29' ' ' PHE . . . -52.71 -64.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.229 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 3.5 p30 -78.32 -23.26 47.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.51 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.6 t -66.83 -66.02 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.479 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.687 ' CE2' ' HB1' ' A' ' 20' ' ' ALA . 10.7 p90 -97.35 -51.34 4.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 47.0 t0 -170.37 126.53 0.78 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.746 ' HB2' HD22 ' A' ' 85' ' ' LEU . 89.1 m-70 -70.76 -10.38 59.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.777 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HG3' ' HA ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -46.61 -50.14 17.94 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 122.24 0.216 . . . . 0.0 111.329 -178.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 4.9 mmpt? -65.34 -44.89 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.638 ' O ' HG12 ' A' ' 33' ' ' VAL . 33.8 t80 -54.33 -31.2 53.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.224 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -59.79 -30.99 69.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.175 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 5.7 mt-30 -83.87 -42.5 16.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.026 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 1.4 mtp -73.67 -33.19 64.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.745 HG11 HD12 ' A' ' 35' ' ' LEU . 13.5 p -65.46 -24.96 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.919 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 10.94 45.58 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.374 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.871 HD23 HG12 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -65.45 -32.69 74.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 11.2 mtpp -83.88 10.35 9.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.279 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.32 -49.32 61.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.871 0.367 . . . . 0.0 110.524 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HD2' ' A' ' 37' ' ' LYS . 7.6 ttmt -136.65 -161.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.7 179.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.368 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -67.23 -10.48 51.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.824 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.76 -43.25 99.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' OD1' ' HB3' ' A' ' 38' ' ' LYS . 4.8 m-20 -66.16 -52.04 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.871 HG12 HD23 ' A' ' 35' ' ' LEU . 33.5 m -61.08 -39.43 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.512 . . . . 0.0 110.686 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 82.5 mttt -63.14 -32.47 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.287 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HD3' HD11 ' A' ' 5' ' ' LEU . 50.4 mttm -67.7 -58.43 4.66 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' HB2' ' A' ' 2' ' ' MET . 12.1 p -54.67 -27.97 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.996 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.691 ' CE1' HD12 ' A' ' 58' ' ' ILE . 21.8 t80 -76.6 -32.52 58.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.682 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 44' ' ' LYS . 24.7 m80 -68.5 -36.52 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.075 0.464 . . . . 0.0 109.84 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.67 -50.32 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.904 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.2 pp -83.42 -31.81 26.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.89 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.451 ' HA ' ' HG2' ' A' ' 54' ' ' LYS . 18.1 t70 -87.78 13.46 10.59 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.33 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.64 0.257 . . . . 0.0 111.347 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -110.98 26.52 10.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.336 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 26.9 mmmt -114.0 1.37 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m 66.12 23.75 10.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.65 -10.14 75.55 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.587 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -134.73 127.7 31.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.532 . . . . 0.0 111.176 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.691 HD12 ' CE1' ' A' ' 47' ' ' PHE . 4.8 mt -111.74 145.36 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.217 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -100.51 122.08 42.62 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.017 0.913 . . . . 0.0 111.822 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.874 ' HB2' HG23 ' A' ' 82' ' ' THR . 4.9 pt-20 -38.05 -33.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.741 -1.572 . . . . 0.0 112.229 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.4 m-20 -69.78 -52.63 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.95 0.405 . . . . 0.0 110.907 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.98 -19.2 54.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.082 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.804 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -47.41 -46.31 26.13 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.29 -29.96 38.89 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.805 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 t -80.04 -58.73 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.18 0.514 . . . . 0.0 110.001 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG21 HG21 ' A' ' 58' ' ' ILE . 6.5 tp -58.84 -17.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.086 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.4 mt -45.48 -27.54 0.75 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.972 0.415 . . . . 0.0 111.56 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 72' ' ' SER . 77.6 mttt -47.49 -21.91 0.39 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.446 -177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.22 -57.87 4.08 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.294 -0.955 . . . . 0.0 111.206 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.88 -42.11 7.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 109.308 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 74' ' ' ALA . 5.0 m -69.53 1.81 3.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.252 -1.34 . . . . 0.0 114.087 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 31.1 t -44.62 -25.04 0.23 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.502 0.592 . . . . 0.0 110.85 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.521 ' HB2' HG21 ' A' ' 15' ' ' ILE . 3.2 m-20 -105.23 -25.59 12.39 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.225 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -86.94 -162.36 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.678 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -99.21 -158.77 0.7 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.591 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 22' ' ' ASP . 4.9 m-20 -109.44 -179.79 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -109.79 124.62 51.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 109.997 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 82' ' ' THR . 27.8 m -95.86 -171.72 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.76 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.72 -51.04 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' THR . 83.5 mttt -50.44 -52.99 32.91 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -73.8 -29.17 62.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.772 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.874 HG23 ' HB2' ' A' ' 60' ' ' GLU . 77.1 m -61.34 -50.04 74.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.821 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 6.9 mmpt? -76.27 -31.23 58.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.042 -1.435 . . . . 0.0 111.166 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.8 m -89.1 -57.92 2.72 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.746 HD22 ' HB2' ' A' ' 26' ' ' HIS . 45.2 tp -73.24 -48.77 32.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.465 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 1.9 tpp -74.53 -51.29 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.016 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -53.66 -34.36 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.009 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.3 -52.4 16.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.473 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -57.46 -38.86 89.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.233 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' HB3' HG12 ' A' ' 97' ' ' ILE . 3.0 p30 -95.31 37.38 1.18 Allowed 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.4 tmtt? -29.93 -36.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.46 1.104 . . . . 0.0 113.698 -178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASP . 20.0 t70 -55.41 -19.52 9.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.979 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.88 49.91 3.9 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 121.509 -0.377 . . . . 0.0 113.5 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.419 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 6.0 m-20 -113.29 -4.05 13.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.581 0.229 . . . . 0.0 111.293 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 96' ' ' LYS . . . 64.2 12.27 49.46 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.08 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' CE ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -146.59 142.15 27.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' A' ' 90' ' ' ASP . 26.4 mt -111.23 112.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.656 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.01 -166.35 37.09 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.485 HG13 ' CD ' ' A' ' 100' ' ' GLU . 14.7 p -61.36 -32.58 53.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.186 0.493 . . . . 0.0 110.66 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.485 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -74.27 -54.35 7.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.282 0.563 . . . . 0.0 110.97 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.21 -37.82 75.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.634 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 2.6 t80 -52.04 -25.07 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.496 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.8 p -78.0 -42.43 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 91' ' ' LYS . 24.0 m -55.43 -42.27 73.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.476 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.7 tt -54.63 -39.2 67.73 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -55.89 -33.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.771 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.25 -34.69 55.78 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.968 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mm-40 -66.83 -64.49 0.84 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.447 0.642 . . . . 0.0 110.126 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.582 ' HA ' ' HG3' ' A' ' 27' ' ' LYS . 68.7 p . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.877 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 2' ' ' MET . 45.8 t . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.682 0.277 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.613 ' HG3' HG23 ' A' ' 46' ' ' VAL . 15.4 tmm? 74.77 -57.88 0.6 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.034 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 p -69.92 -25.48 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.395 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.14 -30.55 27.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.024 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.58 HD13 ' HG2' ' A' ' 45' ' ' LYS . 5.2 mp -97.8 -61.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' CB ' HD11 ' A' ' 11' ' ' ILE . 11.0 mt -74.29 137.5 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.798 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.742 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.5 m -55.24 110.19 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.15 70.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.069 0.461 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 12.3 pt-20 -71.6 -46.83 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.714 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.407 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 63.0 m-20 -60.74 -52.85 63.34 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 111.357 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 7' ' ' SER . 5.9 mt -56.59 -45.97 82.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.989 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -59.83 -51.81 68.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' CE ' ' HB2' ' A' ' 9' ' ' GLU . 18.8 mttm -72.0 -51.66 20.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.513 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . . . -54.62 -37.9 66.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.757 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.58 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.4 mt -70.49 -56.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.59 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.13 -49.21 5.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.503 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -40.32 -51.47 2.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.131 0.465 . . . . 0.0 112.009 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 14' ' ' ALA . 20.9 p90 -130.11 111.0 12.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.108 0.48 . . . . 0.0 111.448 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 20' ' ' ALA . 9.0 t -90.89 -46.15 8.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.656 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.5 ' N ' HG23 ' A' ' 19' ' ' THR . . . -46.71 -51.24 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.348 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 24' ' ' PHE . . . -44.67 -65.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.583 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 5.8 p-10 -69.81 -34.19 73.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.507 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.467 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.4 t -51.85 -40.44 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.354 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 1.3 p90 -95.5 -24.87 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.444 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 33.6 t70 -166.91 98.78 0.54 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.278 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -68.96 -17.74 63.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 23.5 mmmt -47.68 -50.22 25.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -60.55 -45.22 94.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.647 ' O ' HG12 ' A' ' 33' ' ' VAL . 46.8 t80 -57.09 -36.43 70.59 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.554 178.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.724 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -53.0 -30.8 37.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.831 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.465 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 36.5 mt-30 -84.35 -41.7 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.478 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.408 ' HG2' ' HA ' ' A' ' 29' ' ' PHE . 10.3 mmm -72.07 -36.43 69.55 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.411 0.624 . . . . 0.0 111.028 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 29' ' ' PHE . 11.2 p -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.47 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.95 28.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.416 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.724 HD22 ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -76.09 -30.08 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.267 179.413 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 31' ' ' GLN . 3.5 mtmp? -82.09 -17.15 47.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.426 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -42.06 -29.21 0.22 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' CD ' ' OD2' ' A' ' 42' ' ' ASP . 53.7 mttm -132.57 -168.89 2.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.2 t -78.12 167.64 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -57.49 -21.3 36.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 10.7 m-20 -68.38 -32.8 73.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.453 ' HA ' ' CD2' ' A' ' 5' ' ' LEU . 5.1 m-20 -73.08 -52.27 14.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.643 ' CG1' HD23 ' A' ' 35' ' ' LEU . 17.0 m -52.74 -35.79 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.32 0.581 . . . . 0.0 110.053 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 44.1 mtpt -50.01 -27.31 5.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.58 ' HG2' HD13 ' A' ' 5' ' ' LEU . 4.3 mptp? -56.78 -48.43 77.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.024 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.613 HG23 ' HG3' ' A' ' 2' ' ' MET . 6.7 p -59.11 -26.99 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.08 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HE1' HD11 ' A' ' 58' ' ' ILE . 9.0 t80 -46.96 -43.18 18.97 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.365 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 60.5 m-70 -75.46 -35.89 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.708 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.448 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 44.1 mm -58.91 -50.41 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.386 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.67 ' O ' HD11 ' A' ' 66' ' ' ILE . 4.0 pp -80.46 -41.46 24.37 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.13 97.54 6.42 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 21.0 ptmt -69.39 -48.72 60.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.159 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 6.4 m-20 -67.75 -20.6 65.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.692 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 87.7 tttt 82.19 -35.84 0.1 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.161 0.584 . . . . 0.0 109.571 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ASP . 47.5 t 63.46 -53.62 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.032 0.933 . . . . 0.0 113.232 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.07 -15.95 54.48 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -178.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.9 m-85 -165.83 126.61 1.82 Allowed 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.843 HG21 HD13 ' A' ' 63' ' ' LEU . 8.6 mt -103.83 142.12 18.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.333 0.587 . . . . 0.0 110.104 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HG2' ' HD2' ' A' ' 96' ' ' LYS . 21.5 mt-10 -101.89 116.8 33.49 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.767 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -39.26 -32.41 0.11 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.892 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.05 -52.32 36.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.045 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.5 -16.67 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.678 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.843 HD13 HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.6 -37.63 65.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.957 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.641 ' N ' HD23 ' A' ' 77' ' ' LEU . . . -61.85 -21.89 61.55 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.879 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -81.25 -62.53 1.63 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 50' ' ' LEU . 10.3 tp -62.94 -19.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.518 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -46.29 -34.6 4.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 72' ' ' SER . 78.5 mttt -49.8 -23.01 1.62 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.775 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.79 -53.12 5.4 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.878 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.681 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.4 p90 -98.02 -45.37 6.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.229 0.537 . . . . 0.0 110.408 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.424 ' HA ' HD13 ' A' ' 15' ' ' ILE . 5.6 m -73.01 0.88 10.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 4.5 t -46.78 -23.43 0.43 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.052 -0.405 . . . . 0.0 111.847 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.7 m-20 -94.15 -12.02 29.22 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -113.49 -93.36 0.47 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 13.3 ptt180 -155.31 -156.5 0.66 Allowed 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.476 -0.14 . . . . 0.0 110.777 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.0 m-20 -124.0 144.75 49.64 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -47.09 121.29 3.62 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 178.177 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -101.08 -177.9 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.638 0.256 . . . . 0.0 110.925 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.89 25.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.189 0.519 . . . . 0.0 110.624 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 39.8 ttmt -52.96 -51.67 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.595 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.947 ' HB2' HD12 ' A' ' 77' ' ' LEU . 32.2 mt-10 -66.16 -25.29 66.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 60' ' ' GLU . 8.4 m -63.29 -51.31 66.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -77.02 -30.24 55.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.874 177.41 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 49.5 m -88.57 -57.84 2.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' CE ' ' A' ' 86' ' ' MET . 0.8 OUTLIER -81.35 -52.36 7.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.539 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.72 ' SD ' HD22 ' A' ' 77' ' ' LEU . 6.0 mmt -63.19 -51.11 67.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.304 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.95 -24.82 55.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.637 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -76.07 -65.52 0.9 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.917 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.569 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -46.96 -36.15 8.55 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.536 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 96' ' ' LYS . 6.9 p30 -95.72 37.79 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.116 -0.542 . . . . 0.0 109.932 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.636 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -29.16 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.393 1.077 . . . . 0.0 113.801 -178.251 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.5 m-20 -54.38 -20.18 6.89 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.721 0.296 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.56 50.1 3.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.75 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -110.74 -8.25 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.585 0.231 . . . . 0.0 111.083 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 67.99 19.52 71.86 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.581 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 13.0 mmtp -148.11 141.42 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.495 HD13 ' HA3' ' A' ' 89' ' ' GLY . 30.4 mt -116.81 113.21 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.072 0.463 . . . . 0.0 111.583 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.38 -170.42 18.23 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.614 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.427 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 14.2 p -56.21 -27.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.62 -54.32 8.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.377 0.608 . . . . 0.0 110.616 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -61.17 -27.26 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.04 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.595 ' HA ' HD11 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -51.72 -24.81 6.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.6 p -77.33 -42.06 38.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.636 HG21 ' HB3' ' A' ' 91' ' ' LYS . 21.0 m -62.51 -43.03 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.464 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -52.19 -27.02 13.06 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.418 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.63 -36.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.978 0.418 . . . . 0.0 110.141 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.26 -26.22 39.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.437 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.448 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 9.3 mm-40 -63.21 -67.91 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.884 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 64.2 p . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.363 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.464 ' CG ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -105.31 49.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.267 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 m -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -107.02 -64.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 111.598 -179.084 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.75 HD21 HG12 ' A' ' 43' ' ' VAL . 31.6 mt -77.9 146.79 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.377 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.408 ' HB3' ' OD1' ' A' ' 10' ' ' ASP . 55.6 m -59.59 115.03 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.504 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.56 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.438 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.79 -45.47 64.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.4 m-20 -50.45 -52.1 41.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.667 ' HA ' HG23 ' A' ' 33' ' ' VAL . 13.8 mt -60.81 -53.99 41.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.483 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -61.66 -44.28 97.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 110.211 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 18.2 mtpp -65.11 -50.71 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.552 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . . . -65.68 -48.82 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.926 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.096 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.6 mt -54.0 -45.21 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.953 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.15 -4.71 59.77 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.539 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -64.84 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.142 0.471 . . . . 0.0 111.747 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.753 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 2.1 p90 -142.65 150.26 39.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 111.262 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -84.72 -26.54 27.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.605 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.753 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . . . -46.78 -26.7 1.01 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.723 0.297 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . . . -53.34 -57.95 8.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 110.227 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' CB ' ' HB2' ' A' ' 75' ' ' ARG . 16.4 m-20 -88.02 -17.11 31.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.406 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 40.5 t -89.24 -56.3 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -95.01 -65.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' OD2' ' CG2' ' A' ' 84' ' ' THR . 60.3 t0 -161.38 127.49 3.8 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 52.6 m-70 -71.77 -12.38 61.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.527 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HE2' ' N ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -47.64 -54.49 11.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 110.343 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.08 -47.57 85.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 28.0 t80 -51.69 -32.45 29.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.037 178.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.904 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.96 -29.47 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.674 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.0 mt-30 -84.08 -42.69 15.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.698 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.0 mtp -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.221 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.015 HG11 HD12 ' A' ' 35' ' ' LEU . 12.4 p -66.28 -24.72 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.91 19.84 35.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.822 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.015 HD12 HG11 ' A' ' 33' ' ' VAL . 1.5 mt -70.0 -32.44 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.2 mtpp -82.11 -15.26 54.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.403 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HD2' ' HG3' ' A' ' 38' ' ' LYS . 7.7 tmtm? -46.5 -37.34 7.73 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HG3' ' HD2' ' A' ' 37' ' ' LYS . 62.4 mttm -123.89 -175.23 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.236 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 m -70.74 172.24 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.753 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -66.74 -17.33 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 2.5 m-20 -74.67 -35.47 62.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' OD2' ' HD3' ' A' ' 38' ' ' LYS . 7.4 m-20 -67.69 -51.85 44.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.056 0.455 . . . . 0.0 109.78 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.75 HG12 HD21 ' A' ' 6' ' ' LEU . 29.9 m -60.16 -36.85 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 109.75 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 26.9 mtpt -50.81 -26.92 6.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.437 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -56.96 -48.62 77.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.732 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 43' ' ' VAL . 3.9 p -56.81 -27.36 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.486 ' CE1' HD11 ' A' ' 58' ' ' ILE . 15.3 t80 -46.4 -48.7 18.65 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.935 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 36.8 mm -60.95 -49.43 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.491 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 HD12 ' A' ' 58' ' ' ILE . 4.2 pp -84.71 -30.99 24.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.775 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.2 t70 -93.47 44.68 1.14 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 111.386 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 20.4 ptmt -70.41 -51.05 32.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.057 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.6 t70 -115.91 2.81 13.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.41 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 70.8 mmtt -68.69 -12.17 61.09 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 11.8 t 76.39 43.45 0.15 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . 79.62 -3.08 70.09 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.658 -0.782 . . . . 0.0 114.285 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 89.3 m-85 -151.66 143.47 23.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.285 0.543 . . . . 0.0 110.826 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -103.87 139.96 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.129 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' HG2' ' CE ' ' A' ' 96' ' ' LYS . 16.7 mt-10 -102.36 119.79 39.41 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.105 -178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.781 ' HB2' HG23 ' A' ' 82' ' ' THR . 2.1 pt-20 -37.71 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.42 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.58 -52.86 22.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.4 . . . . 0.0 110.93 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 65' ' ' SER . 8.5 tp10 -84.03 -16.27 44.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.056 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -50.45 -45.47 56.06 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.642 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.46 55.99 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.037 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 35.3 t -84.55 -59.47 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.732 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.542 HG22 ' HA ' ' A' ' 63' ' ' LEU . 10.4 tp -59.71 -16.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.659 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.705 ' CD2' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -45.36 -28.37 0.84 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.249 0.547 . . . . 0.0 110.8 178.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.48 -19.9 0.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.252 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.21 -53.76 7.59 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -97.52 -43.68 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.054 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.471 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 19.5 m -68.26 3.36 1.72 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 113.805 -1.543 . . . . 0.0 113.977 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.5 t -44.97 -25.16 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.619 -0.675 . . . . 0.0 111.024 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.04 35.39 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 109.996 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.096 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -141.54 -156.94 0.72 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.078 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 67.6 mtp180 -102.95 -88.05 0.41 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.506 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 2.7 p30 175.65 167.24 0.37 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.064 0.459 . . . . 0.0 112.135 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.705 HD23 ' CD2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -89.5 95.26 10.19 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.963 0.887 . . . . 0.0 109.938 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 42.0 t -68.88 -171.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.61 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -50.13 27.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' THR . 25.8 mtpp -49.81 -54.36 19.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.2 mp0 -69.36 -27.67 65.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.781 HG23 ' HB2' ' A' ' 60' ' ' GLU . 70.2 m -60.18 -52.41 65.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.946 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.5 mmmm -78.02 -31.02 50.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.245 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 62.5 m -88.17 -57.42 2.93 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -74.75 -50.47 17.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -176.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.685 ' SD ' HD22 ' A' ' 77' ' ' LEU . 1.6 mmm -74.27 -51.44 15.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.938 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.946 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -58.34 -31.97 68.08 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.38 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -78.66 -46.09 19.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.574 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -59.08 -35.07 82.33 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.288 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.4 p30 -94.49 38.64 1.1 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.905 -0.647 . . . . 0.0 109.375 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -28.32 -35.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.539 1.136 . . . . 0.0 113.835 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ASP . 6.5 m-20 -55.31 -19.81 9.69 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.729 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.93 51.1 3.69 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.199 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -113.43 -10.0 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.35 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.79 -4.28 45.68 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.551 -0.833 . . . . 0.0 114.003 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 58.0 mttt -132.76 142.96 49.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.616 0.246 . . . . 0.0 110.804 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.423 HD12 ' CE ' ' A' ' 86' ' ' MET . 20.4 mt -104.27 112.51 38.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.07 0.462 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.56 175.87 22.84 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.468 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 13.7 p -47.18 -37.05 4.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.43 -51.68 19.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.829 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 0.4 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.676 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.639 ' O ' HD12 ' A' ' 105' ' ' LEU . 13.9 t80 -52.31 -31.22 32.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.002 0.43 . . . . 0.0 110.13 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -79.19 -33.08 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.64 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.504 HG21 ' HB3' ' A' ' 91' ' ' LYS . 31.1 m -58.94 -45.63 89.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.434 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.47 -23.95 64.87 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.815 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.895 ' N ' HD13 ' A' ' 105' ' ' LEU . 46.8 t -63.65 -36.43 76.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.142 0.496 . . . . 0.0 109.967 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.96 -27.96 35.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.832 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.83 -67.08 0.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.323 0.582 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.485 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.359 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.855 0.36 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.834 ' SD ' HG23 ' A' ' 46' ' ' VAL . 24.7 mtm 60.51 17.32 7.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.1 p -83.74 -46.3 12.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -88.79 -33.91 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.567 HD13 ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -74.7 -57.66 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.408 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.494 HD11 ' HB ' ' A' ' 46' ' ' VAL . 33.4 mt -102.03 158.84 15.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.396 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -83.03 110.19 17.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.81 95.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.364 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 13' ' ' LYS . 7.9 tp10 -62.75 -32.09 73.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 1.9 m-20 -73.93 -50.36 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.875 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.487 HG12 ' CG2' ' A' ' 33' ' ' VAL . 56.2 mt -56.18 -38.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.775 0.321 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.34 -51.41 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' ALA . 42.5 mtpt -66.25 -49.54 66.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.342 0.591 . . . . 0.0 110.754 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -60.08 -45.79 91.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.314 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 70' ' ' PHE . 14.7 mt -68.85 -35.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.673 0.273 . . . . 0.0 111.734 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.78 -17.21 49.3 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.398 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -75.97 -27.15 57.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CG ' ' HB2' ' A' ' 22' ' ' ASP . 21.0 m-30 -104.97 75.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -92.38 -39.03 11.68 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.84 -61.74 1.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CE2' ' A' ' 24' ' ' PHE . . . -95.93 -68.02 0.82 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.534 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . 8.4 m-20 -55.57 -20.79 14.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 75' ' ' ARG . 32.1 t -42.61 -33.42 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.403 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 21' ' ' ALA . 26.4 p90 -94.67 -42.93 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.469 ' OD2' ' CE1' ' A' ' 24' ' ' PHE . 69.2 m-20 -66.22 82.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.267 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.674 ' HB2' HD13 ' A' ' 85' ' ' LEU . 96.4 m-70 -70.47 -23.48 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -47.73 -61.05 2.14 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.317 -0.239 . . . . 0.0 111.059 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 1.7 tpmt? -59.07 -44.74 91.9 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.766 ' O ' HG12 ' A' ' 33' ' ' VAL . 46.2 t80 -53.72 -36.63 62.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.779 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.905 ' CE1' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.62 -31.11 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.396 0.617 . . . . 0.0 109.907 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 19.0 mt-30 -84.16 -43.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mmm -72.25 -34.81 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.088 0.471 . . . . 0.0 111.644 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 29' ' ' PHE . 10.5 p -66.64 -24.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.097 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 96.7 10.82 55.01 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.147 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.74 HD12 HG11 ' A' ' 33' ' ' VAL . 2.7 mt -61.83 -34.16 75.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mtpp -86.82 9.77 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.617 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HG2' ' HG3' ' A' ' 38' ' ' LYS . 84.9 tttt -49.21 -69.98 0.1 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.51 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 56.8 mttt -101.36 -89.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -145.44 -177.75 5.72 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.858 0.361 . . . . 0.0 111.353 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.43 -18.5 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.928 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.62 -46.5 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 111.214 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -63.82 -52.81 58.48 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.71 HG12 HD23 ' A' ' 35' ' ' LEU . 31.5 m -55.45 -36.01 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -62.32 -33.12 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.567 ' CB ' HD13 ' A' ' 5' ' ' LEU . 13.3 mptt -68.5 -57.8 5.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.834 HG23 ' SD ' ' A' ' 2' ' ' MET . 4.7 p -52.08 -27.41 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.194 0.521 . . . . 0.0 110.025 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 5.3 t80 -59.41 -51.81 68.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.894 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' LYS . 61.2 m80 -64.86 -35.61 81.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.538 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.449 HG21 ' CE ' ' A' ' 2' ' ' MET . 50.6 mm -51.68 -49.82 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.474 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.5 pp -83.13 -23.51 32.98 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.268 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.711 ' N ' HD12 ' A' ' 50' ' ' LEU . 4.8 t0 -158.46 78.98 0.8 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.677 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -73.59 -37.64 65.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.805 179.579 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.8 t70 -94.51 24.24 4.7 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.405 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB2' HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -57.85 -18.04 20.0 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.417 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m 70.68 24.85 4.22 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.749 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 100.38 -13.3 59.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.933 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.5 m-85 -161.7 139.15 8.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 117.464 0.632 . . . . 0.0 112.299 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.595 ' CG2' HD22 ' A' ' 63' ' ' LEU . 3.8 mt -104.56 146.79 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.776 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.38 122.67 42.82 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.975 0.893 . . . . 0.0 111.848 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 82' ' ' THR . 6.5 pt-20 -43.83 -30.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.586 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.3 m-20 -68.64 -51.38 42.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.683 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.31 -22.41 41.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -48.37 -48.36 36.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.29 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -57.31 -23.37 47.72 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.078 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.541 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 38.4 t -83.18 -62.76 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 50' ' ' LEU . 9.9 tp -56.1 -17.5 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.766 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -45.98 -48.03 16.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.57 -15.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.07 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.81 -50.73 25.63 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.66 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.766 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 3.8 p90 -97.9 -44.84 6.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 109.139 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' ALA . 88.8 p -72.07 2.3 5.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.331 -1.304 . . . . 0.0 113.241 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.3 p -45.77 -25.91 0.57 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.971 -0.455 . . . . 0.0 111.178 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.633 ' HB2' HG22 ' A' ' 15' ' ' ILE . 2.6 m-20 -92.18 -28.11 17.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 110.041 178.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -86.91 -150.89 0.16 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.144 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' CG ' ' OG ' ' A' ' 23' ' ' SER . 79.0 mtp180 -101.37 -85.98 0.42 Allowed 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -178.14 -171.35 0.27 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.311 0.577 . . . . 0.0 111.856 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.64 ' CD1' HD23 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -119.26 72.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.715 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.0 m -62.35 -174.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.6 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -47.28 27.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.688 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 84' ' ' THR . 65.3 mttm -49.65 -53.68 22.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 84' ' ' THR . 6.4 mm-40 -75.22 -27.23 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 60' ' ' GLU . 89.6 m -61.53 -50.26 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.9 mmpt? -77.3 -30.65 54.29 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.26 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.469 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 97.8 m -87.5 -56.77 3.21 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 26' ' ' HIS . 10.1 tp -79.93 -52.98 7.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.571 ' HE3' HD12 ' A' ' 97' ' ' ILE . 30.3 mmm -63.53 -51.16 66.67 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.219 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -52.95 -25.27 11.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 0.0 110.328 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.37 -63.19 1.43 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.475 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -50.64 -32.86 25.37 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.986 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.3 p30 -95.32 38.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.08 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' CB ' HG21 ' A' ' 104' ' ' THR . 37.2 tptt -28.63 -35.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.191 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -55.07 -19.82 8.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.702 0.287 . . . . 0.0 110.961 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.63 39.41 7.68 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.478 -0.391 . . . . 0.0 113.732 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 9.8 m-20 -100.88 -8.16 22.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.612 0.244 . . . . 0.0 111.122 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 65.83 25.42 71.84 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.874 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 35.5 mttp -155.01 142.77 19.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.571 HD12 ' HE3' ' A' ' 86' ' ' MET . 30.4 mt -117.21 136.37 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 111.525 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 102' ' ' PHE . . . -120.9 -155.74 9.63 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.44 HG13 ' OE1' ' A' ' 100' ' ' GLU . 8.8 p -68.54 -33.02 57.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 117.473 0.637 . . . . 0.0 110.965 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.44 ' OE1' HG13 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -74.38 -55.26 6.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.044 0.45 . . . . 0.0 111.521 -179.18 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -33.6 74.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.526 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t80 -52.72 -26.46 14.09 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.041 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.7 t -78.22 -41.66 33.71 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.43 HG21 ' CB ' ' A' ' 91' ' ' LYS . 61.8 m -56.98 -37.9 72.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.898 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.905 HD13 ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -61.42 -36.61 80.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.161 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 68.1 t -58.02 -33.28 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.053 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.5 -28.45 37.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.072 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HB2' HD23 ' A' ' 105' ' ' LEU . 7.1 mm-40 -65.69 -67.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.767 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.7 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.745 ' HB2' HG23 ' A' ' 46' ' ' VAL . 11.1 tpt -97.54 24.23 6.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -83.03 -16.38 47.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.679 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.36 -36.1 13.35 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.12 0.486 . . . . 0.0 110.8 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.536 HD13 ' HE1' ' A' ' 2' ' ' MET . 0.6 OUTLIER -81.77 -56.37 4.03 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.44 -178.465 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.526 HD12 ' CG ' ' A' ' 2' ' ' MET . 72.4 mt -74.09 152.4 39.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 p -50.02 110.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.38 84.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.04 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 10.4 pt-20 -68.18 -46.39 70.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.901 0.381 . . . . 0.0 110.586 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.9 m-20 -50.72 -53.77 28.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 0.0 111.637 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 33' ' ' VAL . 32.5 mt -62.77 -54.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.287 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.34 -47.05 87.7 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.228 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 21.9 mtpp -63.53 -52.55 60.7 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.676 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 10' ' ' ASP . . . -62.16 -44.28 96.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.492 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.725 HG21 ' HB3' ' A' ' 73' ' ' ASP . 7.7 mm -54.01 -51.17 48.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.037 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.02 -4.46 58.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.531 -0.842 . . . . 0.0 114.502 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -66.15 -52.53 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.526 0.663 . . . . 0.0 112.347 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.538 ' CD2' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -144.0 113.44 7.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.072 0.939 . . . . 0.0 113.031 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' HG2' ' A' ' 75' ' ' ARG . 88.2 m -73.21 -47.08 46.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.475 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.66 -34.93 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' CD2' ' A' ' 18' ' ' PHE . . . -64.96 -65.62 0.65 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.02 0.438 . . . . 0.0 110.41 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 3.8 m-20 -58.78 -28.6 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 2.8 t -73.25 -37.7 66.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.864 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -95.1 -65.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.327 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 45.7 t0 -142.2 121.67 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.367 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.666 ' HB2' HD22 ' A' ' 85' ' ' LEU . 57.4 m80 -70.26 -8.58 51.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.115 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' NZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -45.7 -60.82 2.0 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.507 0.67 . . . . 0.0 110.556 179.014 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -60.16 -48.74 80.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.805 -1.088 . . . . 0.0 110.188 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.802 ' O ' HG12 ' A' ' 33' ' ' VAL . 80.7 t80 -53.73 -38.74 64.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.085 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE1' HD13 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -52.92 -31.78 41.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 0.0 110.286 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 17.1 mt-30 -84.09 -42.69 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.7 mmm -72.3 -35.19 68.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 111.193 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 29' ' ' PHE . 7.3 p -65.64 -23.4 32.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.613 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.18 55.0 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.171 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.727 HD12 HG11 ' A' ' 33' ' ' VAL . 2.6 mt -64.59 -34.6 78.64 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.8 mtpp -78.83 -21.95 46.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.028 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.44 -56.13 12.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.304 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' HA ' ' A' ' 38' ' ' LYS . 9.8 mmpt? -91.42 166.63 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.619 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -68.65 158.29 34.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.682 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 103' ' ' SER . . . -53.12 -25.64 13.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.66 -41.68 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' HB3' HD22 ' A' ' 5' ' ' LEU . 2.6 m-20 -66.45 -53.45 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 46' ' ' VAL . 35.7 m -54.99 -39.48 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' N ' HG23 ' A' ' 43' ' ' VAL . 58.5 mttt -50.57 -31.68 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HD2' ' CD1' ' A' ' 5' ' ' LEU . 89.5 mttt -59.8 -49.86 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.646 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.745 HG23 ' HB2' ' A' ' 2' ' ' MET . 1.5 p -56.7 -27.35 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 23.8 t80 -53.58 -47.85 69.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.47 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . 28.0 t60 -71.99 -36.53 69.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.438 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 48.2 mm -51.57 -49.43 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HB2' HG13 ' A' ' 66' ' ' ILE . 3.9 pp -89.18 -35.07 16.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.171 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.486 ' CB ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -101.81 68.73 1.16 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.538 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -75.22 -45.16 42.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.953 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.441 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 21.9 t70 -114.9 22.31 13.56 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HB2' HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -49.7 -27.86 5.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.118 0.485 . . . . 0.0 110.432 179.457 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 15.8 m 77.42 38.93 0.2 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.036 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 93.24 -14.78 64.47 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.32 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 95.6 m-85 -164.36 145.13 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.191 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.639 HG21 HD13 ' A' ' 63' ' ' LEU . 2.3 mt -103.31 143.19 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' HG3' ' CE ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -100.58 118.7 37.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.605 0.717 . . . . 0.0 111.714 -177.133 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -39.44 -30.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.356 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.0 -51.57 66.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.96 0.409 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.82 -16.14 27.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.041 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.87 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -52.46 -40.26 62.07 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.478 0.656 . . . . 0.0 109.498 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -60.16 -16.73 42.66 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.347 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -87.67 -55.81 3.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.624 . . . . 0.0 109.734 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 50' ' ' LEU . 3.7 tp -65.88 -16.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 63' ' ' LEU . 1.2 mm? -59.82 -21.97 61.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.006 0.431 . . . . 0.0 110.909 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' SER . 45.7 mtpt -51.5 -19.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.848 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.27 -49.98 10.07 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.62 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 71' ' ' SER . 1.2 p90 -95.67 -45.21 7.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 109.576 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.593 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.3 p -70.21 2.96 3.16 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.222 -1.354 . . . . 0.0 114.29 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' LYS . 47.6 t -45.0 -24.41 0.22 Allowed 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.843 -0.536 . . . . 0.0 111.374 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.725 ' HB3' HG21 ' A' ' 15' ' ' ILE . 19.4 t70 -125.92 22.26 7.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.921 178.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -133.5 -136.42 0.17 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.641 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 71' ' ' SER . 18.6 mmm180 -108.94 165.4 11.61 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 121.114 0.483 . . . . 0.0 111.143 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' SER . 3.9 p30 -107.77 121.21 44.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.411 0.624 . . . . 0.0 112.203 -178.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.668 HD23 ' CB ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -41.54 93.93 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.532 177.738 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' THR . 15.4 m -98.17 -164.25 1.12 Allowed 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.994 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.82 -51.84 21.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -52.54 -54.4 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 111.023 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.668 ' CB ' HD23 ' A' ' 77' ' ' LEU . 1.5 mp0 -72.36 -24.43 61.28 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.846 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.554 HG23 ' HB2' ' A' ' 60' ' ' GLU . 28.7 m -62.81 -50.36 71.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 24.9 mmtt -76.71 -33.05 58.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.151 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 47.7 m -87.73 -57.56 2.9 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.666 HD22 ' HB2' ' A' ' 26' ' ' HIS . 20.2 tp -80.58 -52.77 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.641 ' HG2' HD21 ' A' ' 77' ' ' LEU . 2.9 mmt -63.02 -53.2 57.65 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.635 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.99 -23.83 48.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.558 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB1' ' NZ ' ' A' ' 27' ' ' LYS . . . -87.49 -58.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -47.22 -41.56 15.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.742 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 92' ' ' ASP . 4.1 p30 -92.77 39.69 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.548 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -31.05 -26.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.21 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' ASP . 4.5 p30 -55.17 -22.21 16.46 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.904 0.774 . . . . 0.0 109.388 177.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.14 47.71 3.77 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.825 -0.625 . . . . 0.0 114.089 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -113.59 -10.32 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.83 0.315 . . . . 0.0 111.244 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.13 -11.57 35.61 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.469 -0.872 . . . . 0.0 113.735 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 67.3 mttt -120.74 147.37 45.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.776 0.322 . . . . 0.0 111.048 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.444 HD13 HD13 ' A' ' 105' ' ' LEU . 17.1 mt -104.53 123.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.492 . . . . 0.0 110.695 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.8 161.38 12.73 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.428 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 13.1 p -47.68 -27.63 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.105 0.452 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.13 -53.81 10.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.73 -24.34 64.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.777 -179.217 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 105' ' ' LEU . 5.2 t80 -51.89 -23.41 4.84 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.768 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.62 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 59.5 p -78.46 -40.44 35.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.548 HG21 ' CG ' ' A' ' 91' ' ' LYS . 3.0 m -63.22 -27.09 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.76 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -61.38 -35.02 76.32 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.52 -32.08 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.241 0.544 . . . . 0.0 109.609 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.86 -24.77 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.228 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.85 -71.88 0.25 Allowed 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.718 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.411 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.567 ' HA ' ' HE3' ' A' ' 2' ' ' MET . 0.0 OUTLIER -88.92 57.37 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.935 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.448 HG23 ' HB2' ' A' ' 8' ' ' ALA . 91.9 m -111.81 -46.26 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.203 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.1 -26.18 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -90.45 -30.62 17.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.033 HD21 HG12 ' A' ' 43' ' ' VAL . 60.5 mt -131.16 148.52 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.456 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -58.56 110.82 1.06 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.448 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.987 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.81 -41.75 87.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.988 0.423 . . . . 0.0 110.69 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 32' ' ' MET . 7.1 m-20 -55.96 -53.31 58.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.731 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.529 ' HA ' HG23 ' A' ' 33' ' ' VAL . 11.0 mt -59.61 -50.71 78.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -59.46 -46.9 87.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 35.7 mtpt -63.61 -50.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.64 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' HA ' ' CE1' ' A' ' 18' ' ' PHE . . . -64.68 -54.29 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.884 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 70' ' ' PHE . 7.3 mt -54.87 -35.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.228 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.04 -59.89 1.04 Allowed Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.449 -0.881 . . . . 0.0 114.16 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -38.41 -53.0 1.55 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 14' ' ' ALA . 37.7 p90 -136.25 112.49 9.8 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.026 0.441 . . . . 0.0 111.949 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -90.31 -27.6 19.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.385 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.41 -48.4 18.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.285 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASP . . . -53.06 -65.36 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.647 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' HA ' ' HB2' ' A' ' 26' ' ' HIS . 3.5 t70 -57.88 -32.78 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.259 0.552 . . . . 0.0 109.559 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.3 t -62.92 -49.93 72.85 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.882 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -96.78 -65.88 0.94 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.756 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 52.1 t0 -134.03 100.92 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 111.472 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' CD1' ' A' ' 29' ' ' PHE . 26.1 t-80 -70.61 -9.82 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.253 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 109' ' ' SER . 0.4 OUTLIER -45.06 -59.82 2.41 Favored 'General case' 0 C--N 1.338 0.073 0 O-C-N 121.916 -0.49 . . . . 0.0 110.915 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.52 -40.96 93.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 33' ' ' VAL . 4.6 t80 -57.62 -28.33 63.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.503 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.754 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -64.19 -30.17 71.25 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.281 0.562 . . . . 0.0 109.504 178.354 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 38.6 mt-30 -81.32 -40.67 23.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.332 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 38.3 mtp -72.73 -37.09 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.173 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.959 HG11 HD12 ' A' ' 35' ' ' LEU . 9.9 p -65.8 -24.8 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.152 0.501 . . . . 0.0 110.99 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.1 29.93 18.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.082 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.959 HD12 HG11 ' A' ' 33' ' ' VAL . 1.1 mt -72.29 -30.48 64.86 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.193 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -86.26 5.36 34.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.648 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -47.35 -42.37 21.38 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -128.05 -94.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.563 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -145.43 -179.33 6.58 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.842 0.353 . . . . 0.0 111.211 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.635 ' HB1' ' HE3' ' A' ' 44' ' ' LYS . . . -60.59 -30.0 69.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.36 -51.44 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' HA ' HD23 ' A' ' 5' ' ' LEU . 8.0 m-20 -62.56 -52.81 61.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.538 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.033 HG12 HD21 ' A' ' 6' ' ' LEU . 22.4 m -59.95 -38.23 75.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.951 0.405 . . . . 0.0 110.994 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.635 ' HE3' ' HB1' ' A' ' 40' ' ' ALA . 70.5 mttt -51.41 -29.4 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.151 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HD3' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -57.34 -46.3 83.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.538 0.209 . . . . 0.0 111.079 -178.176 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.7 HG12 ' O ' ' A' ' 43' ' ' VAL . 7.3 p -54.28 -25.83 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.004 0.43 . . . . 0.0 110.071 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.9 t80 -46.67 -42.59 16.67 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.275 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -74.22 -35.97 63.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.434 HG13 ' SD ' ' A' ' 2' ' ' MET . 37.7 mm -59.88 -51.51 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.626 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' HD11 ' A' ' 66' ' ' ILE . 4.1 pp -78.13 -41.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.302 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.515 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.53 79.97 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.135 0.493 . . . . 0.0 110.472 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 40.2 pttt -46.78 -47.71 20.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.79 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 t70 -68.52 -15.24 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.3 tmtp? 43.98 33.9 0.84 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.508 0.671 . . . . 0.0 109.811 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -36.63 -27.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.516 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 103.72 -12.05 53.5 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.495 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 93.7 m-85 -158.79 127.56 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 0.0 110.287 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 66' ' ' ILE . 1.5 mt -103.77 144.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.549 ' C ' HD12 ' A' ' 63' ' ' LEU . 8.2 mt-10 -103.1 127.01 50.52 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.717 0.77 . . . . 0.0 112.447 -175.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.808 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.6 pt-20 -33.8 -35.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.21 -51.28 55.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.359 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.13 -24.81 23.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.181 0.515 . . . . 0.0 110.496 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.921 HD22 ' SD ' ' A' ' 86' ' ' MET . 2.0 mt -47.44 -52.66 16.31 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.92 -16.36 51.98 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -92.05 -54.35 3.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.444 0.64 . . . . 0.0 109.713 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 50' ' ' LEU . 9.7 tp -57.34 -23.69 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.891 HD23 ' O ' ' A' ' 63' ' ' LEU . 1.2 mm? -48.26 -26.24 1.89 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.251 0.548 . . . . 0.0 111.073 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 27.2 mttm -50.54 -20.98 1.32 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.03 -54.68 3.02 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.74 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.676 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -97.93 -44.43 6.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.191 0.52 . . . . 0.0 110.072 177.708 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 74' ' ' ALA . 10.4 p -69.55 -0.9 7.41 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.5 t -46.98 -25.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.972 0.351 . . . . 0.0 111.222 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 3.5 m-20 -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.728 0.299 . . . . 0.0 111.058 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -92.16 -89.01 0.19 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.272 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 74' ' ' ALA . 99.7 mtt180 -159.0 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.258 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' C ' HD22 ' A' ' 77' ' ' LEU . 1.2 p30 168.87 175.2 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.198 0.523 . . . . 0.0 111.557 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 85' ' ' LEU . 1.2 mm? -105.92 89.71 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.233 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' THR . 47.9 t -61.75 -175.67 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.558 0.218 . . . . 0.0 110.638 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.4 28.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.466 0.651 . . . . 0.0 110.384 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -50.7 -53.99 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.316 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -75.96 -25.42 55.85 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.009 -178.78 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.678 HG21 ' O ' ' A' ' 60' ' ' GLU . 87.1 m -64.33 -48.94 73.68 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.8 mmpt? -74.62 -29.42 61.27 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.64 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 67.5 m -87.14 -56.77 3.23 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.638 HD13 ' C ' ' A' ' 85' ' ' LEU . 3.0 tm? -81.21 -51.58 8.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.921 ' SD ' HD22 ' A' ' 63' ' ' LEU . 3.9 tpp -61.29 -50.73 71.8 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.99 -178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.16 -24.9 63.45 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.258 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -67.61 -61.23 1.99 Allowed 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.503 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -51.96 -26.96 20.19 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.342 -0.933 . . . . 0.0 110.906 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 93' ' ' GLY . 23.6 t70 -95.38 35.7 1.3 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 109.904 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.754 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.2 tmtt? -33.63 -54.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.183 -0.917 . . . . 0.0 112.954 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.71 36.93 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -136.08 -157.52 7.85 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.526 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.92 -1.04 13.93 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 136.29 -4.18 3.74 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 119.833 -1.175 . . . . 0.0 113.914 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 13.5 mmtp -102.2 140.05 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 86' ' ' MET . 19.2 mt -111.32 111.84 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.199 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.13 165.32 15.94 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.404 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 8.1 p -47.56 -33.86 3.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.169 0.485 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.98 -49.29 38.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.408 ' HG2' ' OD1' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -69.91 -26.92 64.39 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.396 -179.187 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -52.64 -25.8 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 0.0 110.007 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.5 t -72.9 -44.35 61.38 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.42 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.754 HG21 ' HB3' ' A' ' 91' ' ' LYS . 47.2 m -56.32 -35.01 67.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.0 tt -58.28 -39.9 80.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.216 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.3 t -54.77 -34.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.122 0.487 . . . . 0.0 109.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.62 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.298 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.12 -69.27 0.12 Allowed 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.849 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.182 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.752 0.31 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.759 ' HE1' HD23 ' A' ' 5' ' ' LEU . 3.4 tpt -69.99 87.0 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.792 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.0 p -119.24 -42.43 2.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.603 ' C ' HD22 ' A' ' 5' ' ' LEU . 16.0 t70 -58.18 -19.57 34.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.759 HD23 ' HE1' ' A' ' 2' ' ' MET . 2.5 mm? -110.8 -54.23 2.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 11' ' ' ILE . 48.2 mt -91.97 146.95 23.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.523 ' O ' HD12 ' A' ' 11' ' ' ILE . 10.5 p -50.98 111.54 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.5 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.32 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 11.4 pt-20 -61.16 -43.55 98.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -60.17 -54.31 47.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 33' ' ' VAL . 8.1 mt -56.9 -53.22 45.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.662 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -52.08 -43.66 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.964 0.412 . . . . 0.0 110.683 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 29.6 mttm -73.86 -50.77 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.579 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.46 -37.73 87.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.474 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.004 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.9 mt -73.37 -36.4 48.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.822 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.45 -57.21 1.21 Allowed Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.636 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -39.76 -49.65 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 25.9 p90 -136.11 120.45 17.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.654 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 94.3 m -91.59 -37.45 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 23' ' ' SER . . . -46.93 -41.91 16.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . . . -49.26 -66.65 0.36 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.3 p-10 -69.47 -19.78 63.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.321 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.453 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 8.3 t -55.18 -65.17 0.63 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -96.86 -38.99 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.495 ' HA ' HD11 ' A' ' 85' ' ' LEU . 24.2 t70 -141.75 92.13 2.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.53 -8.1 38.41 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.954 178.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 24.4 mmmt -52.3 -54.67 28.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.874 0.369 . . . . 0.0 110.258 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.97 87.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.583 ' O ' HG12 ' A' ' 33' ' ' VAL . 10.2 t80 -49.77 -46.0 50.21 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.805 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CE2' HD13 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -49.96 -26.81 4.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.864 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 49.7 mt-30 -82.98 -49.41 9.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.159 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 2.5 mtt -72.14 -34.12 68.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.607 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.913 HG11 HD12 ' A' ' 35' ' ' LEU . 15.0 p -64.05 -25.21 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 90.96 26.6 21.55 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.733 -0.746 . . . . 0.0 114.21 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.913 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -71.95 -31.71 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.794 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -88.02 10.12 20.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.51 178.854 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 38' ' ' LYS . 47.5 tttp -46.33 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.341 0.203 0 CA-C-O 120.731 0.3 . . . . 0.0 111.204 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 19.8 mttt -81.03 -85.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.47 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -145.7 177.03 9.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.672 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -63.73 -35.66 81.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.423 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.418 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 10.3 m-20 -66.17 -51.07 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.513 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.884 ' O ' HG12 ' A' ' 46' ' ' VAL . 8.2 m -62.34 -35.53 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 110.315 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 0.9 OUTLIER -58.84 -29.93 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.34 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' CB ' ' HG ' ' A' ' 5' ' ' LEU . 4.4 mptp? -56.75 -38.91 73.08 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.884 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.7 p -57.57 -26.81 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 24.1 t80 -49.44 -36.61 22.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.54 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.68 -31.33 59.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.304 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.6 mm -70.54 -52.95 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.366 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 51' ' ' ASP . 4.0 pp -82.16 -37.93 25.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -111.86 86.74 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.233 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.6 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.268 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.42 -20.62 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.65 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.4 mttt 41.88 42.36 2.21 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.527 0.68 . . . . 0.0 110.429 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -52.4 -18.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.764 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.56 -13.34 54.15 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.414 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 89.4 m-85 -161.59 127.9 3.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.957 0.408 . . . . 0.0 110.205 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.442 ' CG2' HD13 ' A' ' 63' ' ' LEU . 2.2 mt -103.16 144.35 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' HG2' ' CE ' ' A' ' 96' ' ' LYS . 14.7 mt-10 -98.7 122.41 41.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.145 0.974 . . . . 0.0 112.657 -175.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.824 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -38.41 -32.76 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.485 -1.689 . . . . 0.0 112.008 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 15.7 t70 -63.22 -51.2 67.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -88.0 -23.56 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.863 ' O ' HD23 ' A' ' 67' ' ' LEU . 4.0 tp -48.95 -50.43 35.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.989 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -55.23 -27.49 46.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -78.07 -58.22 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 0.0 110.058 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 63' ' ' LEU . 8.9 tp -59.4 -18.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.305 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -49.2 -25.9 2.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.068 0.461 . . . . 0.0 110.922 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' SER . 75.5 mttt -49.61 -20.54 0.8 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.596 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.61 -55.0 4.74 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.563 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.799 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.655 0.74 . . . . 0.0 109.551 177.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.488 ' HG ' ' C ' ' A' ' 67' ' ' LEU . 77.4 p -69.9 0.2 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.203 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.9 p -47.34 -26.76 1.37 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.919 -0.488 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.485 ' O ' HG22 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -116.98 25.42 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.458 178.655 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.004 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -119.87 -88.37 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.671 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 56.0 mtt180 -167.07 -88.31 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.146 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 4.6 p30 177.17 -175.86 0.14 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.549 HD21 ' HE3' ' A' ' 86' ' ' MET . 0.2 OUTLIER -127.87 81.2 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.869 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -71.81 -172.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.448 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.55 -48.21 27.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 80' ' ' LYS . 7.9 tmtt? -49.49 -53.71 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.632 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.664 ' HB3' HD23 ' A' ' 85' ' ' LEU . 39.9 mt-10 -75.75 -28.83 58.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.824 HG23 ' HB2' ' A' ' 60' ' ' GLU . 96.9 m -58.35 -50.28 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 29.9 mmmt -76.04 -31.0 58.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.121 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 62.7 m -87.69 -58.63 2.5 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 81' ' ' GLU . 1.6 mm? -83.16 -50.73 8.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.549 ' HE3' HD21 ' A' ' 77' ' ' LEU . 11.1 mmt -58.08 -50.8 72.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -54.37 -25.5 24.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.316 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -76.12 -63.09 1.4 Allowed 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.574 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -46.45 -37.99 8.92 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.8 p30 -91.74 38.29 0.98 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.818 -0.691 . . . . 0.0 109.791 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HB3' HG21 ' A' ' 104' ' ' THR . 2.1 tmtt? -29.31 -35.6 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.512 1.125 . . . . 0.0 113.62 -178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASP . 9.1 m-20 -55.92 -18.45 9.05 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.998 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.88 42.56 5.65 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.614 -0.327 . . . . 0.0 112.941 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -103.48 -4.55 23.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.6 0.238 . . . . 0.0 111.166 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 56.31 25.93 49.5 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.403 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 84.3 mttt -153.58 141.16 19.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.556 HG23 HD21 ' A' ' 105' ' ' LEU . 27.7 mt -107.21 112.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 111.881 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.98 170.06 13.99 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.415 ' CG2' ' HD3' ' A' ' 44' ' ' LYS . 10.7 p -47.6 -28.01 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 117.007 0.404 . . . . 0.0 111.033 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -54.93 6.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.348 0.594 . . . . 0.0 110.618 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -65.12 -26.81 68.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.848 -179.444 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.639 ' HD1' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -52.58 -24.44 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.982 0.42 . . . . 0.0 110.32 179.708 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.529 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 65.8 m -78.11 -38.97 42.8 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 91' ' ' LYS . 26.3 m -63.18 -43.79 97.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.79 -24.47 6.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.28 179.593 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.62 -36.96 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.017 0.437 . . . . 0.0 110.08 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.81 -30.19 40.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.161 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.461 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 10.2 mm-40 -55.82 -68.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.649 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.2 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.703 ' HB2' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -79.37 68.22 5.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 -179.702 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -105.64 -15.43 14.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.524 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.49 -44.06 58.73 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.166 0.507 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.426 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -87.42 -53.71 4.67 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.264 -178.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' CB ' HD11 ' A' ' 11' ' ' ILE . 91.0 mt -74.34 153.37 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.54 ' O ' HD12 ' A' ' 11' ' ' ILE . 6.1 p -55.31 110.77 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.24 87.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 12.7 pt-20 -63.9 -43.13 96.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.0 111.101 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 0.8 OUTLIER -62.13 -53.71 51.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.777 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.696 ' HA ' HG23 ' A' ' 33' ' ' VAL . 14.9 mt -56.44 -52.55 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.768 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -53.04 -44.68 67.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.698 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 54.0 mttt -73.72 -52.52 12.95 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.076 0.465 . . . . 0.0 111.472 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -59.92 -32.2 70.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.435 -178.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.629 HG23 ' HB2' ' A' ' 74' ' ' ALA . 5.7 mt -73.84 -46.71 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.833 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.77 -50.68 1.92 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.282 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -36.88 -55.41 0.9 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -131.65 62.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.548 0.689 . . . . 0.0 112.132 -178.886 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -42.28 -28.42 0.2 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HA ' ' CB ' ' A' ' 23' ' ' SER . . . -46.25 -40.71 11.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -54.55 -64.99 0.66 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.621 ' O ' ' CE1' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -58.9 -24.01 61.81 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.81 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 1.1 t -67.55 -52.17 41.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.172 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.469 ' CD2' ' OD1' ' A' ' 25' ' ' ASP . 43.4 t80 -96.15 -64.23 1.07 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.615 ' HA ' HD21 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -138.7 112.76 8.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.632 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.621 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 13.5 m80 -67.68 -12.67 60.99 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 108' ' ' GLU . 12.8 mmmm -48.2 -55.59 10.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.914 0.388 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HE3' ' CA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -59.86 -49.16 78.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.684 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' O ' HG12 ' A' ' 33' ' ' VAL . 20.8 t80 -50.87 -34.68 29.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.648 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.674 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.24 -28.24 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.751 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 47.4 mt-30 -83.24 -47.74 11.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.039 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 2.2 mtt -72.31 -32.08 66.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 111.234 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' HA ' ' A' ' 11' ' ' ILE . 13.2 p -64.56 -24.07 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 85.04 26.74 36.14 Favored Glycine 0 N--CA 1.452 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.988 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.713 HD13 ' CG1' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -73.03 -29.98 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 109.927 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -87.64 -10.62 50.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.085 178.338 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -41.33 -70.1 0.12 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.623 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 5' ' ' LEU . 62.2 mttm -80.1 -98.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.409 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.8 p -146.73 161.2 41.1 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -51.75 -34.82 41.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 0.0 110.468 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.52 -45.59 77.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 5' ' ' LEU . 11.2 m-20 -54.01 -48.38 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.283 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.908 ' O ' HG12 ' A' ' 46' ' ' VAL . 3.4 m -71.15 -36.48 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.526 0.679 . . . . 0.0 109.726 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 99' ' ' VAL . 44.0 tttt -51.54 -32.75 29.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.521 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HG3' ' CD1' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.87 -47.18 87.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.147 -178.663 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.908 HG12 ' O ' ' A' ' 43' ' ' VAL . 8.7 p -55.68 -25.5 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.12 0.486 . . . . 0.0 110.008 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 35.3 t80 -45.61 -44.16 12.85 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.25 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -75.06 -36.18 61.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 46' ' ' VAL . 39.4 mm -52.88 -50.02 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.512 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 51' ' ' ASP . 4.1 pp -87.23 -37.04 17.61 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.491 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.451 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -119.67 65.95 0.81 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.965 0.412 . . . . 0.0 111.397 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -72.49 -55.27 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.87 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.6 m-20 -117.62 10.84 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 55' ' ' SER . 28.4 tptp -45.46 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.637 0.256 . . . . 0.0 111.416 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 31.4 p 173.03 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.172 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.85 -12.96 46.01 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.17 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.85 161.72 39.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.205 0.526 . . . . 0.0 110.189 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.477 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -105.54 142.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.022 179.156 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -100.42 118.08 35.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.776 0.798 . . . . 0.0 111.357 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.992 ' HB2' HG23 ' A' ' 82' ' ' THR . 5.3 pt-20 -36.79 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.666 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 10.6 m-20 -70.05 -52.35 24.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.131 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -85.65 -18.06 34.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.558 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.82 HD13 ' SD ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -50.86 -31.36 17.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.49 179.685 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.421 ' HA2' ' CB ' ' A' ' 77' ' ' LEU . . . -70.93 -26.86 73.2 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.598 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -81.06 -58.88 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' A' ' 50' ' ' LEU . 7.4 tp -59.65 -24.42 28.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.881 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -47.43 -32.31 4.94 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.333 0.587 . . . . 0.0 110.86 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' SER . 3.8 mtpm? -50.03 -21.34 1.2 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.614 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.99 -53.81 4.57 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.581 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.609 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -98.81 -45.32 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.234 0.54 . . . . 0.0 110.137 177.849 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ALA . 6.1 p -73.13 1.17 9.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.536 -177.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.91 -25.08 0.48 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.02 -0.425 . . . . 0.0 111.197 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.86 35.28 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -148.84 -90.1 0.08 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.693 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 74' ' ' ALA . 45.6 mtp180 -159.19 -168.19 2.27 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.613 0.244 . . . . 0.0 110.808 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -123.31 140.11 53.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.223 0.535 . . . . 0.0 111.948 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.692 HD23 ' HB2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -63.07 100.56 0.22 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.556 179.231 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -82.14 -176.55 6.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -47.7 -50.07 26.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.219 0.533 . . . . 0.0 110.799 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -50.02 -47.05 53.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.71 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.692 ' HB2' HD23 ' A' ' 77' ' ' LEU . 2.4 mm-40 -73.08 -35.09 66.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.362 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.992 HG23 ' HB2' ' A' ' 60' ' ' GLU . 2.1 m -53.76 -50.34 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -76.07 -28.6 57.67 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.272 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.462 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 76.8 m -88.01 -58.31 2.61 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.615 HD21 ' HA ' ' A' ' 25' ' ' ASP . 2.7 mm? -83.35 -51.16 7.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.82 ' SD ' HD13 ' A' ' 63' ' ' LEU . 10.2 mmt -61.64 -46.96 87.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.996 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.62 -25.85 54.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.143 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' LYS . . . -81.48 -63.37 1.41 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.549 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.463 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -49.92 -33.47 20.86 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 97' ' ' ILE . 18.1 t0 -96.29 37.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.605 -0.797 . . . . 0.0 109.322 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.605 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -30.62 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.281 1.032 . . . . 0.0 113.462 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.0 m-20 -55.83 -18.45 8.67 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.589 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.37 3.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.462 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 11.8 m-20 -113.81 -8.65 13.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 76.56 0.36 67.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.203 -0.999 . . . . 0.0 113.272 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 42.4 mttt -143.67 144.82 32.04 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.583 HD11 ' HA ' ' A' ' 86' ' ' MET . 44.3 mt -103.45 111.42 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.227 0.537 . . . . 0.0 111.614 -179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.63 168.38 33.13 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.428 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.689 HG22 ' HE2' ' A' ' 44' ' ' LYS . 8.1 p -48.41 -36.84 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.793 0.33 . . . . 0.0 111.239 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.475 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -73.36 -53.95 9.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.31 0.576 . . . . 0.0 110.676 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -33.46 66.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.745 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.476 ' HD2' HG23 ' A' ' 43' ' ' VAL . 13.4 t80 -52.34 -29.86 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.287 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.5 p -74.92 -39.13 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.992 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 91' ' ' LYS . 91.0 m -54.71 -37.44 65.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.979 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.674 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 1.5 tt -55.34 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.97 -35.37 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.896 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.32 -30.97 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.039 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.445 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 5.4 mm-40 -61.51 -66.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.309 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.437 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 11.4 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.971 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.871 0.367 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.776 ' HG2' HG23 ' A' ' 46' ' ' VAL . 15.9 mmt -88.77 15.62 8.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.501 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -74.88 -28.36 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 0.0 111.573 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.38 -20.62 27.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.411 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 5' ' ' LEU . 4.7 mp -107.61 -69.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.774 ' CB ' HD11 ' A' ' 11' ' ' ILE . 24.2 mt -75.44 154.44 37.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.328 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 4.2 p -53.32 110.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.68 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 1.6 pm0 -70.27 -37.24 74.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.63 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD2' ' CB ' ' A' ' 7' ' ' SER . 62.5 m-20 -69.06 -52.98 22.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.166 0.507 . . . . 0.0 111.62 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.774 HD11 ' CB ' ' A' ' 6' ' ' LEU . 34.6 mt -55.56 -48.62 77.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.523 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 11.2 tmtt? -56.97 -50.61 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.73 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 9' ' ' GLU . 36.9 mttm -67.56 -50.67 57.39 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.69 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.94 82.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.755 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.593 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 9.4 mt -70.0 -37.48 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.697 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.54 -7.47 59.09 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.524 -0.845 . . . . 0.0 113.014 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.74 -13.95 23.75 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . 12.3 m-30 -106.56 100.05 9.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' SER . 84.1 m -91.96 -49.32 6.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.764 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -100.6 -56.51 2.32 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.507 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -40.77 -66.08 0.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 111.857 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 18' ' ' PHE . 19.6 t70 -65.35 -19.12 65.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.426 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -60.86 -46.86 88.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.041 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 17.2 p90 -95.99 -20.57 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 25.7 t70 -152.57 98.81 2.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.533 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -71.67 -20.2 61.98 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 178.43 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.533 ' CD ' HD12 ' A' ' 85' ' ' LEU . 13.3 mmmm -45.2 -50.28 11.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.92 0.39 . . . . 0.0 110.518 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -60.91 -46.61 89.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 3.6 t80 -57.4 -28.06 62.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.852 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -61.99 -31.1 71.43 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.36 0.6 . . . . 0.0 109.877 178.372 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.498 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 41.6 mt-30 -85.1 -41.17 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.119 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.8 -34.4 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.355 0.598 . . . . 0.0 110.756 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.878 HG11 HD12 ' A' ' 35' ' ' LEU . 9.8 p -66.39 -21.01 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.133 -0.939 . . . . 0.0 112.007 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 22.82 62.83 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.878 HD12 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -66.16 -32.55 74.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.6 mtpp -80.91 -12.97 59.31 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.457 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -42.94 -33.38 0.78 Allowed 'General case' 0 C--N 1.341 0.231 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -139.87 -178.85 5.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.05 165.88 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -63.58 -17.9 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.36 -47.86 82.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' HA ' HD23 ' A' ' 5' ' ' LEU . 9.4 m-20 -61.03 -52.53 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.572 ' CG1' HD23 ' A' ' 35' ' ' LEU . 30.1 m -59.29 -38.27 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.11 0.481 . . . . 0.0 110.699 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -51.66 -28.96 16.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.237 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HG2' HD21 ' A' ' 5' ' ' LEU . 14.0 mptt -60.1 -47.77 84.5 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' HG2' ' A' ' 2' ' ' MET . 0.5 OUTLIER -54.02 -32.22 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE1' ' CD1' ' A' ' 102' ' ' PHE . 1.9 t80 -58.56 -40.99 84.62 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.541 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 38.5 t60 -75.44 -38.53 59.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.505 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.437 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 41.7 mm -50.76 -49.61 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.618 0.723 . . . . 0.0 109.523 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.706 HD13 HG13 ' A' ' 66' ' ' ILE . 4.3 pp -82.88 -42.61 17.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.479 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.607 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -119.49 96.73 5.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.646 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 17.5 ptpt -57.9 -50.41 73.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.656 0.265 . . . . 0.0 111.422 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 13.0 t70 -100.54 -22.43 14.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.977 0.417 . . . . 0.0 110.629 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' PHE . 24.9 mttt 56.46 9.85 0.6 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.9 p 38.57 28.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.558 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.4 11.8 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-N 115.67 -0.695 . . . . 0.0 113.095 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -168.31 165.56 12.86 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.524 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 10.4 mt -106.51 143.76 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 121.14 40.84 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.906 0.86 . . . . 0.0 111.405 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -36.54 -33.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.954 -1.476 . . . . 0.0 112.35 -179.101 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.46 -51.99 44.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.967 0.413 . . . . 0.0 110.623 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.22 -21.5 36.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.074 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.834 ' O ' HD23 ' A' ' 67' ' ' LEU . 3.1 tp -48.35 -50.59 29.93 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 76' ' ' ASP . . . -59.48 -21.09 53.58 Favored Glycine 0 C--N 1.318 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.521 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.8 t -86.88 -57.69 2.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.219 0.533 . . . . 0.0 109.786 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.706 HG13 HD13 ' A' ' 50' ' ' LEU . 6.8 tp -60.5 -15.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.728 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.882 ' HG ' HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -48.8 -28.82 3.95 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.149 0.499 . . . . 0.0 110.642 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.2 mttp -50.08 -21.79 1.4 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.349 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.31 -54.89 3.79 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.171 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.786 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -97.9 -42.16 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.7 p -72.98 4.18 4.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.686 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 41.6 t -43.5 -25.23 0.14 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.317 0.508 . . . . 0.0 111.844 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.13 40.49 1.74 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.264 0.554 . . . . 0.0 110.342 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.507 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -157.68 -145.24 0.14 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 76' ' ' ASP . 82.3 mtp180 -107.11 -93.7 0.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.994 0.361 . . . . 0.0 111.403 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 2.4 p-10 169.19 174.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 111.206 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.882 HD13 ' HG ' ' A' ' 67' ' ' LEU . 4.8 mp -66.06 116.8 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.7 t -92.09 -174.68 3.84 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.9 -50.42 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 110.542 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.18 -49.36 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.398 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' LEU . 11.3 mt-10 -71.78 -31.26 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.401 -178.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.0 m -59.53 -50.66 73.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.586 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.6 mmpt? -76.08 -29.97 58.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.094 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 89.1 m -88.36 -58.35 2.59 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -177.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' CD ' ' A' ' 27' ' ' LYS . 4.7 tp -80.17 -50.37 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.476 ' HE3' ' HB3' ' A' ' 77' ' ' LEU . 26.4 mtt -63.99 -52.29 60.25 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.721 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -62.24 -41.08 98.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . -70.69 -47.66 58.75 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.67 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -47.23 -35.83 9.64 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.947 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 93' ' ' GLY . 3.0 p30 -95.77 38.39 1.17 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.587 ' HB2' HG21 ' A' ' 104' ' ' THR . 26.0 mmmt -34.26 -32.44 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.19 37.63 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -131.39 -165.46 11.44 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.979 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.26 18.81 17.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.518 0.199 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.419 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 104.53 41.71 1.98 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.568 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 45.6 mttp -150.77 140.96 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.882 0.372 . . . . 0.0 110.711 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.436 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 21.1 mt -106.9 111.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.985 0.422 . . . . 0.0 110.578 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.517 ' CA ' ' HA ' ' A' ' 57' ' ' PHE . . . -109.91 -154.56 14.94 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.059 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 100' ' ' GLU . 11.9 p -68.49 -43.38 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.2 0.5 . . . . 0.0 111.562 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.473 ' N ' HG13 ' A' ' 99' ' ' VAL . 11.6 pt-20 -72.0 -51.9 19.63 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 1.4 mp0 -57.84 -33.48 68.7 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.896 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.64 ' CD1' HD11 ' A' ' 105' ' ' LEU . 4.3 t80 -52.73 -23.38 6.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.304 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -74.57 -38.86 62.55 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.778 HG22 ' OE2' ' A' ' 108' ' ' GLU . 87.6 m -61.57 -42.96 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.907 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.67 HD22 ' HA3' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -58.61 -23.61 59.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.63 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.4 -34.9 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.57 -27.11 37.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.506 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.778 ' OE2' HG22 ' A' ' 104' ' ' THR . 31.7 mt-10 -64.0 -67.52 0.42 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.67 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.23 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.588 ' HG3' HG23 ' A' ' 46' ' ' VAL . 15.9 tmm? -121.76 -38.82 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p -68.41 -27.5 66.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.46 -25.9 66.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 5' ' ' LEU . 4.8 mp -102.21 -60.86 1.47 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.708 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' CB ' HD11 ' A' ' 11' ' ' ILE . 37.4 mt -74.63 137.65 42.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.615 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 p -54.48 111.14 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.284 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.96 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.399 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.497 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 17.6 tt0 -66.79 -49.08 66.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.55 -53.79 49.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.476 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 33' ' ' VAL . 20.3 mt -56.57 -53.34 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.591 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -54.46 -42.61 70.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HD3' ' HG2' ' A' ' 9' ' ' GLU . 34.5 mtpt -71.22 -53.02 15.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.224 0.535 . . . . 0.0 111.24 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -62.42 -35.77 80.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.178 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 74' ' ' ALA . 6.5 mm -63.68 -55.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.42 -4.32 60.94 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -92.12 -7.84 47.38 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.181 0.991 . . . . 0.0 112.783 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 3.1 m-30 -115.35 111.01 20.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.1 p -91.88 -48.9 6.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.344 178.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -100.3 -50.63 3.88 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.054 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -38.02 -66.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 15.9 p-10 -71.06 -21.3 62.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -52.16 -44.92 64.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.921 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 35.3 p90 -95.53 -36.68 11.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 66.8 t0 -146.27 105.17 3.87 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.475 ' CD2' ' OE2' ' A' ' 81' ' ' GLU . 35.8 m-70 -71.74 -12.15 61.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.78 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 17.2 mtmm -47.5 -52.77 16.26 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.14 -0.35 . . . . 0.0 110.505 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.35 -44.71 92.64 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' O ' HG12 ' A' ' 33' ' ' VAL . 20.2 t80 -55.5 -31.67 62.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.287 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.39 -28.85 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.206 0.527 . . . . 0.0 110.071 178.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 22.0 mt-30 -84.28 -49.32 8.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.96 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.454 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 37.7 mtt -72.39 -27.74 62.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG11 HD12 ' A' ' 35' ' ' LEU . 13.8 p -67.04 -25.41 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.85 17.35 30.6 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.286 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.962 HD23 ' CG1' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -72.8 -32.06 65.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.261 0.553 . . . . 0.0 109.956 179.428 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.7 mtpp -87.18 10.91 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.942 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HG2' ' HG3' ' A' ' 38' ' ' LYS . 48.9 tttm -47.54 -65.83 0.5 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.505 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 32.4 mtmt -106.41 -90.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.447 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -143.29 -178.88 6.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 111.041 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -65.78 -20.12 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.295 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.21 -44.39 92.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 12.8 m-20 -67.37 -52.31 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.153 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.962 ' CG1' HD23 ' A' ' 35' ' ' LEU . 35.1 m -56.31 -35.55 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -49.53 -30.61 8.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.78 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 5.7 mptp? -59.77 -52.32 65.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.956 HG12 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -55.01 -26.7 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -60.67 -46.12 91.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.433 179.678 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' LYS . 85.7 m-70 -69.79 -41.52 74.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.365 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 45' ' ' LYS . 8.8 mm -52.58 -50.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 109.865 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -80.54 -37.79 30.85 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.327 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -120.05 61.77 0.85 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -71.57 -53.01 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 18.6 t70 -115.59 11.0 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -52.21 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.979 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m 171.28 36.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.773 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.25 10.14 39.83 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.439 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 4.7 p90 -164.58 144.28 7.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.577 ' CG2' HD22 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -103.74 143.57 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.442 0.639 . . . . 0.0 111.259 -178.209 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HG2' ' HG2' ' A' ' 96' ' ' LYS . 27.4 mt-10 -100.54 122.45 43.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.57 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' HB2' HG23 ' A' ' 82' ' ' THR . 4.3 pt-20 -42.96 -32.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.843 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 7.2 m-20 -70.49 -52.88 18.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.67 -18.11 58.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.994 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.805 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -47.13 -51.0 19.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.255 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.35 -28.06 42.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.884 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.9 m -81.09 -62.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 63' ' ' LEU . 4.7 tp -56.28 -17.15 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.328 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.32 -47.67 13.2 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.91 -13.11 0.09 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -178.256 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.14 -55.02 10.82 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 119.378 -1.391 . . . . 0.0 110.409 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.52 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 4.2 p90 -98.61 -39.36 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 122.152 0.977 . . . . 0.0 108.586 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 15' ' ' ILE . 18.7 t -73.79 2.33 8.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.484 -1.689 . . . . 0.0 113.057 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -45.79 -25.79 0.56 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.929 -0.482 . . . . 0.0 111.325 -179.032 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.592 ' HB2' HG21 ' A' ' 15' ' ' ILE . 5.0 m-20 -120.14 25.13 10.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.547 178.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -134.07 -155.46 0.66 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.438 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' NE ' ' OG ' ' A' ' 23' ' ' SER . 63.0 mtp85 -101.32 166.82 10.56 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.003 0.43 . . . . 0.0 111.398 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.3 161.53 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.367 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 67' ' ' LEU . 1.5 tp -77.02 124.51 27.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.67 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 47.9 t -103.13 -167.49 1.39 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.76 0.314 . . . . 0.0 110.37 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -51.31 -50.46 59.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.289 0.566 . . . . 0.0 110.761 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 84' ' ' THR . 99.1 mttt -60.61 -54.94 39.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.855 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.475 ' OE2' ' CD2' ' A' ' 26' ' ' HIS . 5.4 mt-10 -66.76 -35.16 79.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.65 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 60' ' ' GLU . 99.0 m -60.64 -49.38 77.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.965 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.3 mmmt -73.65 -25.32 60.22 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.93 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.577 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 88.5 m -86.05 -56.19 3.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.081 0.467 . . . . 0.0 112.086 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' A' ' 27' ' ' LYS . 4.2 mm? -72.42 -48.26 42.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.846 ' HE3' HD12 ' A' ' 97' ' ' ILE . 5.9 mmm -81.68 -50.69 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.55 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.965 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.69 -30.82 69.05 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.838 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 84' ' ' THR . . . -83.69 -56.09 3.91 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.158 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.53 ' HA3' HD11 ' A' ' 97' ' ' ILE . . . -56.36 -28.34 54.99 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.338 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 92' ' ' ASP . 36.0 t70 -96.07 38.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.336 . . . . 0.0 110.351 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.97 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -32.69 -25.83 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.548 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 12.1 t70 -58.06 -21.63 46.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.828 0.74 . . . . 0.0 109.978 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.15 53.75 7.52 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.862 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 18.6 t70 -113.27 -9.74 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.54 -18.03 56.03 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.209 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -123.1 143.14 50.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.414 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.846 HD12 ' HE3' ' A' ' 86' ' ' MET . 0.9 OUTLIER -102.78 111.58 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.094 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -101.96 -173.43 27.77 Favored Glycine 0 N--CA 1.44 -1.048 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.981 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.2 -31.47 42.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.42 -54.99 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.151 0.501 . . . . 0.0 111.255 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.452 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.76 -22.75 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.217 -179.295 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CD1' ' CE2' ' A' ' 47' ' ' PHE . 3.3 t80 -51.18 -50.5 58.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . 47.3 t -57.01 -29.85 63.68 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.97 HG21 ' CG ' ' A' ' 91' ' ' LYS . 13.5 m -70.19 -40.27 74.73 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.225 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.531 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -58.57 -38.26 77.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.2 -51.4 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.05 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.54 81.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.326 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.442 ' OE2' ' HB1' ' A' ' 88' ' ' ALA . 6.5 mm-40 -52.86 -68.55 0.16 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.314 0.578 . . . . 0.0 110.549 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 3.4 t . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.74 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.635 ' HE3' ' N ' ' A' ' 46' ' ' VAL . 12.9 tpp 65.41 41.03 4.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.027 0.441 . . . . 0.0 110.388 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.599 HG22 ' CB ' ' A' ' 8' ' ' ALA . 31.0 p -98.64 -30.43 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.338 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.43 -19.38 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.285 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD21 ' HG2' ' A' ' 45' ' ' LYS . 5.5 mp -119.2 -65.86 1.13 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 111.373 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.659 HD13 ' HG ' ' A' ' 35' ' ' LEU . 21.1 mt -74.27 144.47 44.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.7 p -51.7 110.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.599 ' CB ' HG22 ' A' ' 3' ' ' THR . . . -61.93 -43.59 98.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 14.8 tt0 -73.2 -50.15 24.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.792 0.33 . . . . 0.0 110.989 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' HB3' ' OG ' ' A' ' 7' ' ' SER . 10.8 t0 -49.83 -46.69 51.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.037 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.589 HG22 HD12 ' A' ' 15' ' ' ILE . 20.8 mt -56.78 -45.15 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.405 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.59 -42.62 97.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.897 0.38 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' CD ' ' HG2' ' A' ' 9' ' ' GLU . 1.8 mtpp -67.65 -50.54 57.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -67.45 -36.91 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.509 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.666 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 5.3 mt -67.51 -36.85 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.56 -4.97 63.58 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.1 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.06 32.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.045 0.423 . . . . 0.0 111.894 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CG ' ' HB2' ' A' ' 22' ' ' ASP . 12.8 m-85 -109.9 74.73 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.252 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -92.33 -36.6 13.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.33 -61.39 1.44 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.84 -67.87 0.83 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.492 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . 11.8 m-20 -56.93 -17.62 10.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.747 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -45.45 -25.99 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.667 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 25' ' ' ASP . 5.6 p90 -84.54 -47.5 10.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.472 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.543 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.1 p30 -78.81 85.97 4.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.65 0.262 . . . . 0.0 110.949 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.566 ' C ' ' CD2' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -70.79 -14.34 62.38 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.505 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HG2' ' CA ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -57.44 -57.09 14.18 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.547 0.689 . . . . 0.0 110.361 179.389 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -38.32 68.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.685 -1.143 . . . . 0.0 107.939 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.684 ' O ' HG12 ' A' ' 33' ' ' VAL . 27.0 t80 -63.47 -37.07 85.89 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.55 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CE2' HD22 ' A' ' 35' ' ' LEU . 6.3 t80 -52.08 -27.42 13.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.233 0.539 . . . . 0.0 109.762 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.503 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 41.6 mt-30 -84.35 -54.37 4.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.486 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.416 ' C ' ' HB2' ' A' ' 14' ' ' ALA . 61.3 mtp -71.46 -20.39 62.09 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 29' ' ' PHE . 13.4 p -74.1 -24.65 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.117 0.484 . . . . 0.0 111.103 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.2 24.18 41.57 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.391 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.751 HD22 ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -74.33 -31.61 62.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.503 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -79.6 -8.61 59.3 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.661 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HD3' ' HG3' ' A' ' 38' ' ' LYS . 8.2 tmtm? -45.37 -27.6 0.71 Allowed 'General case' 0 C--N 1.345 0.388 0 CA-C-O 120.818 0.342 . . . . 0.0 110.995 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HG3' ' HD3' ' A' ' 37' ' ' LYS . 39.2 mtmt -143.22 -179.76 6.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.28 157.57 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.983 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.512 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.54 -20.74 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 9.7 m-20 -62.31 -34.66 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.092 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.97 -52.74 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 40' ' ' ALA . 29.1 m -57.3 -40.84 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.395 0.617 . . . . 0.0 110.32 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 43' ' ' VAL . 64.5 mttt -52.47 -27.34 15.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG2' HD21 ' A' ' 5' ' ' LEU . 14.1 mptt -56.89 -47.12 81.25 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.635 ' N ' ' HE3' ' A' ' 2' ' ' MET . 0.6 OUTLIER -58.24 -28.75 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.709 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 102' ' ' PHE . 9.3 t80 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.753 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.0 -37.96 89.34 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 45' ' ' LYS . 37.5 mm -55.52 -48.67 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.32 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 66' ' ' ILE . 5.3 mt -89.13 -24.09 22.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.338 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 1.8 m-20 -91.71 26.6 2.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 111.711 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -62.12 -41.04 97.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.47 -19.21 13.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 42.2 mmtm -62.79 -14.24 42.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.54 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m 69.85 22.89 5.78 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.28 -12.66 58.61 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.345 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD2' ' HA3' ' A' ' 98' ' ' GLY . 36.2 m-85 -144.49 132.77 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.16 0.505 . . . . 0.0 111.331 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.535 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 1.4 mp -103.97 144.0 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.674 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -99.98 137.78 37.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.858 -177.122 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.616 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -32.08 -38.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.873 0.733 . . . . 0.0 112.573 -177.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.69 -52.38 26.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.6 mm-40 -76.95 -17.68 58.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.395 178.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.674 HD23 ' C ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -50.4 -24.04 2.79 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.818 179.134 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.815 ' CA ' HD23 ' A' ' 77' ' ' LEU . . . -74.86 -20.17 79.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.702 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -86.52 -51.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.83 0.824 . . . . 0.0 108.794 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.7 HD13 HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -52.77 -41.0 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.0 179.338 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -50.18 -39.83 45.01 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 111.159 -179.651 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 38.5 mttp -50.01 -26.56 4.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.939 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.567 ' CA ' HD21 ' A' ' 50' ' ' LEU . . . -44.34 -48.38 8.45 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.657 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 49.8 p90 -95.19 -49.2 5.6 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.428 0.633 . . . . 0.0 109.481 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.506 ' HB3' ' CE2' ' A' ' 70' ' ' PHE . 60.2 p -69.83 -0.09 6.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.504 -1.226 . . . . 0.0 114.114 -177.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 30.1 t -46.49 -23.33 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.442 . . . . 0.0 111.55 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.14 29.78 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.522 0.201 . . . . 0.0 111.533 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.666 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . . . -154.87 -90.19 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -152.34 -174.34 4.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.661 0.267 . . . . 0.0 110.806 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -127.9 146.9 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 112.012 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.041 HD12 ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -35.82 135.45 0.3 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 178.383 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.6 m -113.15 -179.11 3.55 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.8 -50.42 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.285 0.564 . . . . 0.0 110.82 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 63.2 tttp -56.13 -54.08 49.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.18 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 1.041 ' HB2' HD12 ' A' ' 77' ' ' LEU . 31.3 mt-10 -59.49 -25.95 64.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.547 ' CA ' HD11 ' A' ' 77' ' ' LEU . 48.6 m -63.34 -51.65 65.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.0 mmpt? -77.6 -27.98 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.819 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 37.3 m -88.39 -59.49 2.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.486 HD23 ' CB ' ' A' ' 81' ' ' GLU . 3.2 mm? -83.64 -52.17 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -177.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.644 ' SD ' HD12 ' A' ' 63' ' ' LEU . 5.2 mmt -61.09 -51.5 68.87 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.553 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.15 -23.77 62.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.671 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -77.41 -65.28 0.98 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.074 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.488 ' CA ' HD13 ' A' ' 105' ' ' LEU . . . -49.96 -28.65 12.67 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.076 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' ASP . 13.4 p30 -95.17 39.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.68 0.392 . . . . 0.0 110.326 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.827 ' HB2' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.6 -32.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -178.242 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 90' ' ' ASP . 22.2 t70 -55.96 -19.96 14.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.393 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.55 46.37 7.4 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.208 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -109.96 -7.87 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.634 0.254 . . . . 0.0 111.047 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.8 27.97 72.57 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.906 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 55.1 mttt -152.06 142.68 22.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.784 0.326 . . . . 0.0 110.645 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.433 HG22 ' CE1' ' A' ' 47' ' ' PHE . 27.6 mt -104.9 141.07 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.894 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.485 ' HA3' ' CD2' ' A' ' 57' ' ' PHE . . . -142.25 171.18 24.72 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.343 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.6 p -47.73 -36.81 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -54.32 8.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 110.65 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.431 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -63.94 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.031 -179.16 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 5.5 t80 -53.55 -26.12 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.072 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.9 t -68.76 -45.2 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.053 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.827 HG21 ' HB2' ' A' ' 91' ' ' LYS . 85.0 m -58.38 -42.9 88.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.488 HD13 ' CA ' ' A' ' 89' ' ' GLY . 27.9 tp -54.71 -29.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.102 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 102' ' ' PHE . 26.3 t -69.61 -41.76 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.038 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.04 -28.25 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.948 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 88' ' ' ALA . 35.3 mm-40 -50.83 -65.87 0.48 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.818 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.451 ' OG ' ' HG3' ' A' ' 31' ' ' GLN . 26.8 t . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.98 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 2' ' ' MET . 47.0 t . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.725 0.298 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 46' ' ' VAL . 35.5 ttp 86.6 -36.43 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.762 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -73.36 -33.19 64.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.815 0.34 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -75.72 -25.08 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -106.42 -58.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 43' ' ' VAL . 16.1 mt -88.01 145.33 26.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 11' ' ' ILE . 6.4 p -60.87 110.39 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.249 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.18 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.06 -48.95 79.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.163 0.506 . . . . 0.0 111.314 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.409 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 1.7 m-20 -60.44 -52.13 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.241 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.562 HD11 ' CB ' ' A' ' 6' ' ' LEU . 19.2 mt -54.52 -53.44 31.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.456 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -55.84 -45.99 78.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 19.9 mtpp -67.94 -50.1 57.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.357 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -51.66 55.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.101 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 70' ' ' PHE . 9.0 mt -56.86 -45.62 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.93 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.45 -37.12 32.09 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.576 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -75.29 -4.86 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 11.0 m-30 -115.16 88.87 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' SER . 95.1 m -90.72 -45.31 8.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -97.57 -37.29 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.192 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HB3' ' CG ' ' A' ' 18' ' ' PHE . . . -47.74 -66.0 0.47 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.769 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' A' ' 18' ' ' PHE . 68.8 m-20 -58.12 -30.6 66.43 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.8 -32.26 73.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.361 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ALA . 64.2 t80 -95.26 -48.02 6.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.819 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 24.0 t70 -159.49 101.61 1.53 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 111.753 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.465 ' CD2' ' HD2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -70.81 -18.44 62.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.652 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HB2' ' OD2' ' A' ' 25' ' ' ASP . 30.1 mmmt -49.0 -50.71 34.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 5.9 mmpt? -59.41 -45.74 90.67 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' ' 33' ' ' VAL . 24.1 t80 -56.43 -36.14 68.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.565 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' HE1' HG22 ' A' ' 106' ' ' VAL . 0.6 OUTLIER -52.73 -31.7 39.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.3 0.572 . . . . 0.0 109.528 178.809 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.4 mt-30 -84.66 -41.69 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.513 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.9 mmm -71.22 -35.8 71.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.392 0.615 . . . . 0.0 110.984 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.803 HG11 HD12 ' A' ' 35' ' ' LEU . 14.7 p -66.13 -21.99 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.895 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.64 20.17 54.73 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.856 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.803 HD12 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -67.6 -34.35 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.328 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.9 mtpp -78.78 -13.71 59.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.349 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 7' ' ' SER . 4.9 tmmt? -53.81 -22.84 10.41 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.69 0.281 . . . . 0.0 111.21 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -131.83 -174.34 3.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.012 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.5 p -87.27 171.91 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.629 ' HB1' ' NZ ' ' A' ' 44' ' ' LYS . . . -50.54 -48.36 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.454 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -53.04 -38.0 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -70.55 -52.73 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.743 ' CG1' HD23 ' A' ' 35' ' ' LEU . 16.1 m -59.96 -36.32 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 110.919 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.629 ' NZ ' ' HB1' ' A' ' 40' ' ' ALA . 45.8 mttp -49.94 -29.04 7.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.768 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 4.5 mptp? -57.53 -52.91 63.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.105 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 43' ' ' VAL . 4.3 p -61.82 -26.98 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.673 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 41.0 t80 -74.1 -38.05 63.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.439 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -67.27 -43.15 82.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 45' ' ' LYS . 5.3 mm -48.41 -49.07 13.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.404 0.621 . . . . 0.0 110.167 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.49 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.2 pp -86.82 -27.44 23.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.58 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.1 t70 -105.83 36.49 2.53 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 46.7 pttt -69.11 -49.17 59.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 111.568 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.556 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 22.0 t70 -115.87 20.01 14.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HG2' HG12 ' A' ' 58' ' ' ILE . 1.9 tppp? -80.68 3.64 21.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.716 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 9.0 t 82.1 4.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.59 -14.1 60.79 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.186 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 2.9 p90 -141.97 133.39 26.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 110.077 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 66' ' ' ILE . 2.9 mt -101.65 145.61 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.191 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.2 122.78 42.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.095 0.95 . . . . 0.0 111.7 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HB2' HG23 ' A' ' 82' ' ' THR . 3.1 pt-20 -36.82 -33.21 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.585 -1.643 . . . . 0.0 112.226 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 15.3 m-20 -70.95 -53.5 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 111.447 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -78.02 -19.99 53.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.143 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -47.5 -47.36 27.58 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.511 -179.568 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.424 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -52.1 -36.03 42.88 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.348 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -75.79 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.269 0.557 . . . . 0.0 110.057 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 58' ' ' ILE . 7.3 tp -61.45 -15.75 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -51.61 -25.53 7.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.971 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -48.82 -21.99 0.74 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.013 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.6 -54.4 6.6 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.273 -0.965 . . . . 0.0 111.186 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.62 ' O ' HD13 ' A' ' 15' ' ' ILE . 1.5 p90 -98.08 -43.74 6.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.571 0.701 . . . . 0.0 109.388 177.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' ALA . 96.0 p -70.95 2.07 4.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.776 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.7 p -45.76 -24.47 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.835 -0.541 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.547 ' HB2' HG22 ' A' ' 15' ' ' ILE . 3.9 m-20 -94.16 -27.25 16.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.598 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -93.94 -156.84 0.51 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.25 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -100.11 -84.31 0.42 Allowed 'General case' 0 C--O 1.231 0.101 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -175.78 -169.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.819 0.342 . . . . 0.0 111.113 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.578 HD23 HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -103.82 136.53 43.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 -179.689 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.5 m -106.78 -173.62 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.62 -50.83 31.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -51.12 -53.81 30.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -72.32 -25.63 61.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 60' ' ' GLU . 95.1 m -62.6 -49.81 73.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.9 mtpt -76.66 -29.0 56.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.19 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 42.9 m -88.7 -57.72 2.81 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 81' ' ' GLU . 34.6 tp -74.44 -48.88 24.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -176.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.483 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mmm -75.26 -53.62 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.027 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -64.35 -25.16 67.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.527 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -82.85 -39.82 21.13 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.342 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.724 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -69.07 -38.88 84.35 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.76 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.497 ' HA ' ' CG ' ' A' ' 101' ' ' GLU . 4.2 p30 -92.12 39.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.482 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.647 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -30.71 -28.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.362 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASP . 12.7 t70 -56.51 -21.05 23.41 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.776 -0.577 . . . . 0.0 109.617 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 10.19 63.45 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.782 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.45 -6.05 40.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.185 0.492 . . . . 0.0 110.966 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.46 24.86 68.07 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.165 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 50.1 mttp -145.18 139.34 27.16 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.067 0.46 . . . . 0.0 110.669 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.512 HD13 HD13 ' A' ' 105' ' ' LEU . 25.5 mt -106.78 112.06 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.292 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -110.88 170.3 13.81 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 178.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.473 ' N ' ' CE2' ' A' ' 47' ' ' PHE . 14.6 p -46.72 -29.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 117.104 0.452 . . . . 0.0 111.244 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.65 -51.99 17.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.275 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.497 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -73.04 -23.0 60.54 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 106' ' ' VAL . 1.9 t80 -52.1 -31.61 31.48 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.3 0.571 . . . . 0.0 109.857 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 93.0 p -71.08 -31.17 67.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.647 HG21 ' CG ' ' A' ' 91' ' ' LYS . 2.9 m -68.48 -48.48 64.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.749 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.724 HD22 ' HA3' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -59.62 -38.51 81.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.529 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 102' ' ' PHE . 87.2 t -54.1 -29.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.62 34.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.386 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -70.38 0.14 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.964 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.3 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.333 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 2' ' ' MET . 47.2 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.541 0.21 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.529 ' HB2' HG23 ' A' ' 46' ' ' VAL . 15.2 ttp 84.89 -41.29 0.06 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.757 0.423 . . . . 0.0 111.875 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.0 m -65.78 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.11 0.481 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.76 -25.7 21.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.483 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' CD1' ' CB ' ' A' ' 45' ' ' LYS . 23.3 mt -84.25 -64.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.586 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.835 ' CD2' HG12 ' A' ' 43' ' ' VAL . 62.7 mt -75.43 145.66 41.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.524 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.0 p -50.05 110.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.396 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.91 89.8 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 28.8 tt0 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.155 0.502 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -55.55 -54.54 42.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.124 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 6' ' ' LEU . 15.4 mt -57.01 -53.57 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.683 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -53.21 -50.78 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mtpm? -66.02 -51.77 55.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.382 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.179 0.514 . . . . 0.0 111.615 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 73' ' ' ASP . 5.4 mm -54.67 -51.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.26 -3.44 61.59 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.641 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -82.81 -29.09 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.719 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -117.08 120.48 38.46 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 0.0 112.144 -178.506 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 9.2 t -91.83 -34.22 14.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -97.97 -45.5 6.25 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.816 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' CB ' ' A' ' 18' ' ' PHE . . . -43.76 -66.79 0.34 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' OD2' ' CD2' ' A' ' 29' ' ' PHE . 4.4 t70 -61.97 -19.03 62.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.884 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -72.0 -56.21 6.06 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.631 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 42.0 p90 -95.77 -18.53 20.35 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.408 ' OD2' ' HD2' ' A' ' 28' ' ' LYS . 24.2 t0 -164.13 96.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.248 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -71.17 -20.24 62.31 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.63 179.154 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -45.49 -49.39 13.66 Favored 'General case' 0 C--N 1.34 0.194 0 O-C-N 121.87 -0.519 . . . . 0.0 110.378 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.63 -50.5 73.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.695 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 2.1 t80 -54.16 -28.64 41.52 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.414 178.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.901 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.45 -26.92 68.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.186 178.293 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.547 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 50.9 mt-30 -85.01 -42.51 14.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.491 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 5.1 mmt -69.51 -35.47 75.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.757 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.961 HG11 HD12 ' A' ' 35' ' ' LEU . 14.2 p -66.46 -20.42 27.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.697 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.39 31.97 44.4 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.597 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.961 HD12 HG11 ' A' ' 33' ' ' VAL . 3.5 mt -70.5 -27.34 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 0.0 109.932 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 1.1 mtmm -94.48 -4.96 47.19 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.261 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -43.41 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.344 0.333 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -75.22 -96.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.899 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.9 p -146.11 167.64 22.91 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.783 0.325 . . . . 0.0 110.682 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HB1' ' CB ' ' A' ' 103' ' ' SER . . . -61.56 -21.18 64.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 9.8 m-20 -71.17 -51.51 24.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.082 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -51.89 -46.04 64.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.214 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.835 HG12 ' CD2' ' A' ' 6' ' ' LEU . 21.5 m -71.09 -41.42 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.582 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' N ' HG23 ' A' ' 43' ' ' VAL . 10.5 ttpt -53.86 -28.41 35.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.619 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CB ' ' CD1' ' A' ' 5' ' ' LEU . 5.9 mptp? -58.15 -46.52 85.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.456 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 43' ' ' VAL . 3.7 p -52.92 -27.09 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.248 0.547 . . . . 0.0 109.83 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 34.4 t80 -46.42 -51.31 15.33 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.485 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -70.29 -30.97 68.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.071 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 38.9 mm -61.29 -48.74 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.89 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -87.33 -33.92 19.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.28 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.9 t70 -84.29 10.49 10.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HD2' ' HB2' ' A' ' 53' ' ' ASP . 3.6 pptp? -54.14 -39.19 66.27 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.166 -0.213 . . . . 0.0 111.447 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 22.7 t70 -115.14 26.0 10.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HE3' ' CG ' ' A' ' 62' ' ' GLU . 35.0 mmtm -105.18 1.71 28.51 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 21.0 t 73.71 13.96 4.26 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.26 -2.57 54.43 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.287 -0.959 . . . . 0.0 113.987 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 55.2 m-85 -145.64 141.87 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.295 0.547 . . . . 0.0 111.625 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -105.73 128.87 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.471 178.755 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' HG2' ' CD ' ' A' ' 96' ' ' LYS . 5.5 mt-10 -102.9 129.4 49.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.609 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.713 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -35.31 -37.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.936 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -51.55 53.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' CG ' ' HE3' ' A' ' 54' ' ' LYS . 7.1 tp10 -77.46 -20.98 53.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.617 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.681 HD12 HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -47.8 -48.03 30.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.945 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.61 77.53 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 22.6 t -77.71 -56.88 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.359 0.599 . . . . 0.0 109.926 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.499 HG21 ' CG2' ' A' ' 58' ' ' ILE . 5.5 tp -59.33 -20.43 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.741 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.777 HD11 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -47.12 -28.31 1.73 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.189 0.518 . . . . 0.0 111.413 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 65' ' ' SER . 47.6 mmtm -48.3 -20.61 0.41 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.339 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.1 -57.43 7.03 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.721 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.501 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 7.6 p90 -98.04 -36.45 10.11 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.851 0.834 . . . . 0.0 108.907 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.514 ' HA ' HD12 ' A' ' 15' ' ' ILE . 37.4 t -73.57 2.68 7.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 113.946 -1.479 . . . . 0.0 113.14 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 13.2 t -44.58 -25.34 0.26 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.046 -0.408 . . . . 0.0 111.879 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.709 ' HB2' HG21 ' A' ' 15' ' ' ILE . 5.4 m-20 -122.36 22.51 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.004 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.687 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -123.36 -157.28 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 19' ' ' THR . 11.1 mpt_? -94.46 -96.34 0.16 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 121.214 -0.195 . . . . 0.0 111.233 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.56 ' HA ' HD22 ' A' ' 67' ' ' LEU . 1.9 p-10 168.83 177.31 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.199 0.523 . . . . 0.0 111.877 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.777 HD22 HD11 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -88.25 115.41 25.73 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.215 179.251 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 m -92.79 -175.65 3.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.361 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.57 24.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.393 0.616 . . . . 0.0 110.481 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' THR . 60.2 tttp -56.89 -50.45 72.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.635 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.8 mm-40 -68.27 -31.89 71.67 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.74 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.713 HG22 ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -61.2 -49.96 75.06 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.214 -0.995 . . . . 0.0 108.738 178.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.904 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.3 mmmt -76.2 -27.11 56.74 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.788 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.478 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 85.1 m -88.61 -58.12 2.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.633 HD23 HD21 ' A' ' 77' ' ' LEU . 15.6 tp -80.98 -50.41 9.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.41 ' HG3' ' HA ' ' A' ' 60' ' ' GLU . 3.7 tmm? -67.24 -48.13 68.72 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.774 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.904 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -64.33 -38.41 90.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.615 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . -67.29 -66.45 0.56 Allowed 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.606 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -43.86 -32.04 2.11 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-O 121.768 0.649 . . . . 0.0 112.141 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' HA ' ' CD ' ' A' ' 101' ' ' GLU . 35.0 t70 -96.0 41.11 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.878 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.535 ' CE ' HG22 ' A' ' 104' ' ' THR . 1.6 mptp? -26.65 -41.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.483 0.713 . . . . 0.0 112.604 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.4 m-20 -54.01 -16.24 1.82 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.426 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 66.18 42.52 94.28 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.486 -0.388 . . . . 0.0 113.157 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.424 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 11.1 m-20 -96.84 -6.34 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.73 14.65 81.21 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.952 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -158.01 152.42 24.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.205 -179.002 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.4 mt -104.14 111.98 35.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.248 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.27 167.42 26.27 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.519 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.488 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -47.59 -38.42 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.832 0.316 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 101' ' ' GLU . 2.9 pp20? -71.73 -45.37 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.484 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.474 ' OE1' HG21 ' A' ' 104' ' ' THR . 2.8 mm-40 -75.01 -22.8 58.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.333 . . . . 0.0 111.214 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.485 ' O ' HD12 ' A' ' 105' ' ' LEU . 20.7 t80 -52.18 -36.53 52.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.187 0.518 . . . . 0.0 109.787 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.485 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . 15.4 m -78.08 -30.32 49.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.95 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.535 HG22 ' CE ' ' A' ' 91' ' ' LYS . 98.5 m -56.62 -47.66 79.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.179 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.77 -23.27 66.06 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.992 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.862 ' N ' HD13 ' A' ' 105' ' ' LEU . 86.2 t -57.75 -31.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.38 -31.85 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.181 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HG2' ' HE2' ' A' ' 91' ' ' LYS . 6.9 mm-40 -52.13 -72.24 0.06 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.668 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 26.8 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.483 ' HG2' HD12 ' A' ' 6' ' ' LEU . 11.1 tpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.98 0.419 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.1 p -107.62 -27.41 10.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.47 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.67 -23.31 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.947 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 5' ' ' LEU . 1.4 mm? -107.84 -64.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.63 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.627 HD21 HG12 ' A' ' 43' ' ' VAL . 77.4 mt -78.78 142.13 37.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 p -53.53 110.39 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.79 84.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.594 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 24.5 tt0 -63.98 -50.03 70.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.191 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.24 -54.19 28.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.205 0.526 . . . . 0.0 111.758 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.584 ' HA ' HG23 ' A' ' 33' ' ' VAL . 23.2 mt -56.86 -33.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.987 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -69.97 -45.63 66.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 9' ' ' GLU . 1.3 mtpp -73.08 -52.2 15.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 111.044 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -56.0 -38.83 70.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.786 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 8.8 mt -74.19 -51.38 23.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.99 -4.86 81.56 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.694 -0.765 . . . . 0.0 114.719 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -91.57 -24.21 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.852 0.826 . . . . 0.0 111.995 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.27 105.29 12.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 111.776 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.523 HG23 ' N ' ' A' ' 20' ' ' ALA . 10.7 t -91.83 -47.74 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.522 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.523 ' N ' HG23 ' A' ' 19' ' ' THR . . . -99.18 -45.59 5.85 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 18' ' ' PHE . . . -48.38 -65.86 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -59.29 -29.06 67.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.448 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -54.45 -25.68 26.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.155 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -92.81 -52.88 4.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -145.11 106.93 4.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.778 ' HB2' HD22 ' A' ' 85' ' ' LEU . 2.3 m80 -70.6 -10.92 60.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.466 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HD3' ' HB1' ' A' ' 88' ' ' ALA . 5.6 mmmt -47.77 -53.6 14.85 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.024 0.44 . . . . 0.0 110.41 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 2.6 tpmt? -59.05 -44.11 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 14.3 t80 -57.78 -34.42 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.279 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE1' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -56.0 -28.87 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.004 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' HA ' ' HE2' ' A' ' 36' ' ' LYS . 44.3 mt-30 -84.19 -43.84 14.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.809 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.441 ' C ' ' HB2' ' A' ' 14' ' ' ALA . 19.2 mmt -71.71 -32.72 68.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.417 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.075 HG11 HD12 ' A' ' 35' ' ' LEU . 8.3 p -66.15 -25.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.33 21.6 34.55 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.012 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.075 HD12 HG11 ' A' ' 33' ' ' VAL . 2.7 mt -71.59 -28.97 64.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 31' ' ' GLN . 28.6 mtmt -82.99 -23.14 33.46 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -30.3 11.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 6.0 mmpt? -114.72 -171.68 1.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' OD2' ' A' ' 41' ' ' ASP . 70.3 m -95.32 176.06 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.709 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -55.56 -38.37 69.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 39' ' ' SER . 3.7 p30 -59.4 -49.9 76.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.026 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.469 ' HA ' ' HG3' ' A' ' 45' ' ' LYS . 15.3 m-20 -58.95 -52.34 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.882 0.372 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.627 HG12 HD21 ' A' ' 6' ' ' LEU . 27.8 m -60.79 -38.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.124 0.488 . . . . 0.0 110.361 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 19.2 tttm -59.75 -26.74 65.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.181 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' ' 42' ' ' ASP . 9.4 mttm -55.08 -33.35 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.803 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 43' ' ' VAL . 1.7 p -80.97 -28.5 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.9 t80 -57.54 -35.17 69.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.956 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -72.65 -29.32 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' ' HE3' ' A' ' 52' ' ' LYS . 42.1 mm -70.63 -47.55 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.192 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.9 pp -84.46 -42.39 15.65 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.308 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' N ' HD12 ' A' ' 50' ' ' LEU . 8.3 t70 -87.2 49.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 0.0 111.377 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.78 -51.68 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.134 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.498 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.9 t70 -115.6 22.93 12.75 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.937 ' HE2' HG23 ' A' ' 58' ' ' ILE . 23.7 mmmt -88.48 7.09 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.796 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.0 p 59.22 34.18 23.0 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 98' ' ' GLY . . . 97.45 -9.17 64.65 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.424 -0.894 . . . . 0.0 113.965 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CE2' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -165.65 149.8 8.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.723 0.773 . . . . 0.0 112.335 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.937 HG23 ' HE2' ' A' ' 54' ' ' LYS . 2.2 mp -104.25 147.31 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.073 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.413 ' CG ' ' HD3' ' A' ' 96' ' ' LYS . 9.4 mt-10 -97.96 128.42 44.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.792 0.806 . . . . 0.0 111.426 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 82' ' ' THR . 3.6 pt-20 -33.77 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 113.933 -1.485 . . . . 0.0 112.258 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 20.9 m-20 -70.86 -51.87 23.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 0.0 110.504 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -79.31 -18.11 53.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.503 179.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.905 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -49.44 -32.45 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 110.651 179.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.418 ' HA2' ' HB2' ' A' ' 77' ' ' LEU . . . -68.54 -20.39 73.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.075 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 37.8 t -86.1 -61.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.64 HG21 HG21 ' A' ' 58' ' ' ILE . 9.2 tp -51.34 -24.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.905 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -45.42 -51.25 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.71 -15.34 0.17 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.35 -52.36 13.83 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.854 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.529 ' O ' HD13 ' A' ' 15' ' ' ILE . 3.0 p90 -98.09 -43.6 6.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.714 0.769 . . . . 0.0 109.374 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' ALA . 2.4 m -73.56 2.39 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.335 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.51 -24.24 0.3 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.914 -0.491 . . . . 0.0 111.715 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.7 -24.03 20.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.843 0.354 . . . . 0.0 111.154 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -110.6 -161.13 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.456 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -79.35 -173.51 3.72 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.284 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.31 -179.93 3.81 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.644 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.776 HD11 HD23 ' A' ' 85' ' ' LEU . 4.3 tp -72.41 108.88 5.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 m -94.96 -175.34 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.47 30.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 110.5 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 84' ' ' THR . 95.7 mttt -56.07 -53.66 54.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.009 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 85' ' ' LEU . 26.9 mt-10 -69.13 -37.61 78.42 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 60' ' ' GLU . 88.5 m -54.54 -50.0 68.93 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.369 -0.933 . . . . 0.0 108.52 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.858 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -77.15 -31.92 55.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.461 177.599 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.7 m -88.21 -58.14 2.67 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.778 HD22 ' HB2' ' A' ' 26' ' ' HIS . 52.1 tp -77.91 -48.98 15.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.464 ' HE3' ' O ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -66.12 -52.11 51.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.596 -179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -61.19 -29.62 69.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.042 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.71 -64.59 1.12 Allowed 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.415 178.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.46 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -45.17 -43.62 9.33 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.676 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 7.0 p-10 -82.41 39.44 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.746 0.419 . . . . 0.0 111.332 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 1.9 tmtp? -28.75 -36.54 0.01 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASP . 5.9 m-20 -55.79 -18.05 7.57 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.07 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.07 52.3 8.02 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.591 -0.337 . . . . 0.0 112.899 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.2 1.27 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.343 0.127 . . . . 0.0 111.343 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.96 10.58 56.43 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.011 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 64.5 mttt -151.23 164.24 37.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.641 -0.28 . . . . 0.0 110.774 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.422 HG23 HD21 ' A' ' 105' ' ' LEU . 31.0 mt -126.03 117.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.645 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -118.27 -177.34 17.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.42 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.64 -33.71 11.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.898 0.38 . . . . 0.0 111.259 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.69 -51.24 23.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.261 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.424 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -73.32 -30.84 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.559 ' HA ' HD11 ' A' ' 105' ' ' LEU . 3.1 t80 -52.56 -25.53 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.469 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -78.43 -38.9 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 91' ' ' LYS . 1.8 m -62.36 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.56 -27.3 10.53 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.053 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.8 t -68.7 -34.43 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.915 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.58 -26.92 37.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.75 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -58.6 -79.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.228 179.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 20.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.951 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.584 ' HB2' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.863 0.364 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -96.8 -27.9 14.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.276 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.57 -27.59 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.448 HD12 ' CE ' ' A' ' 2' ' ' MET . 1.4 mt -102.69 -46.22 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.902 ' CD2' HG12 ' A' ' 43' ' ' VAL . 28.3 mt -86.55 143.04 27.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.269 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -53.98 110.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.49 80.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.737 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 12.8 pt-20 -70.26 -48.24 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.272 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 1.3 m-20 -54.67 -52.65 61.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.43 0.633 . . . . 0.0 111.239 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.701 HG22 HD12 ' A' ' 15' ' ' ILE . 9.2 mt -56.33 -53.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.229 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -63.14 -32.95 74.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.524 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mtpt -67.28 -53.78 26.73 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.48 63.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.916 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.701 HD12 HG22 ' A' ' 11' ' ' ILE . 7.8 mt -57.67 -48.37 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.802 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.14 -19.59 69.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.761 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.28 -4.85 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -119.18 96.18 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.7 p -91.44 -48.66 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -99.76 -43.88 6.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.17 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . . . -39.26 -67.4 0.22 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.647 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -72.28 -21.83 61.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.083 0.468 . . . . 0.0 109.959 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.503 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.2 t -50.66 -44.93 57.74 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.85 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 5.7 p90 -96.06 -32.03 12.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.069 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -147.94 95.72 2.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.566 ' ND1' ' CD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -70.92 -19.13 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.223 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -45.7 -53.5 9.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.937 0.399 . . . . 0.0 110.766 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -60.04 -43.21 95.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 1.8 t80 -59.7 -27.57 66.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.668 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -63.11 -26.89 69.04 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.228 0.537 . . . . 0.0 109.848 177.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.52 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.7 mt-30 -85.45 -45.63 11.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 18.2 mmt -72.23 -26.49 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.508 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.56 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 12.1 p -67.67 -24.53 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.57 21.37 40.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.455 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -73.98 -36.95 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.651 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.8 mtpp -75.4 -23.14 57.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.748 178.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -43.26 -41.82 4.1 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.338 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 5' ' ' LEU . 11.0 ttmt -101.32 -144.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.865 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.685 ' O ' HG22 ' A' ' 43' ' ' VAL . 64.8 m -118.79 160.93 20.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -50.67 -27.56 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.53 -56.74 7.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 7.8 m-20 -60.53 -48.48 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 111.035 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.902 HG12 ' CD2' ' A' ' 6' ' ' LEU . 16.9 m -61.79 -36.89 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 109.78 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 28.2 mttt -54.57 -29.32 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.307 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB2' HD13 ' A' ' 5' ' ' LEU . 18.3 mmtp -55.73 -41.66 74.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.028 -177.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.9 p -57.3 -26.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.473 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 23.6 t80 -49.46 -45.01 46.16 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -69.19 -29.44 67.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 0.0 109.78 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.5 mm -69.53 -50.71 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.748 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -86.61 -30.67 21.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.533 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HA ' ' CG ' ' A' ' 54' ' ' LYS . 11.0 t70 -95.25 44.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 21.4 ptmt -70.23 -49.09 53.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.645 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 4.9 p-10 -113.5 -2.98 13.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.867 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 39.1 mmtm -59.47 -16.35 23.49 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.139 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 14.4 t 77.64 34.92 0.33 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.767 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.85 -9.21 57.35 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.464 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 86.6 m-85 -134.87 135.5 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.004 0.402 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.567 ' CG2' HD22 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -104.56 120.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.163 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.9 mt-10 -103.46 133.12 49.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.808 -177.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -34.46 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.599 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' GLU . 7.1 m-20 -65.36 -51.34 61.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -88.11 -21.34 24.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.232 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.8 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.9 -48.46 60.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.907 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.848 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -66.06 -26.39 72.38 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.865 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 34.2 t -80.88 -60.42 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.339 0.59 . . . . 0.0 109.425 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.475 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.8 tp -51.5 -22.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.174 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -46.15 -49.67 16.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.6 -13.02 0.11 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.13 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.05 21.04 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 119.534 -1.317 . . . . 0.0 110.484 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.537 ' CE2' HD13 ' A' ' 67' ' ' LEU . 1.1 p90 -98.15 -46.02 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.77 0.795 . . . . 0.0 109.229 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.4 m -71.02 2.13 4.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.065 -1.425 . . . . 0.0 113.696 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.3 p -44.93 -25.52 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.403 0.547 . . . . 0.0 111.582 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.4 m-20 -103.63 34.62 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.597 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -171.69 -158.88 0.14 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.332 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' SER . 31.5 mmt180 -84.4 -172.45 4.17 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.869 0.366 . . . . 0.0 111.467 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -119.55 -163.39 0.98 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.848 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -96.36 127.16 42.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' THR . 46.7 t -105.85 -169.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.0 111.045 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -48.73 -51.14 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 97.9 mttt -55.72 -44.24 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.795 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.3 mt-10 -75.24 -27.22 59.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 86' ' ' MET . 96.0 m -63.57 -48.94 75.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.834 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.2 mmmm -75.89 -32.57 59.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.832 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.553 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 91.3 m -87.95 -57.6 2.88 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.517 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 9.4 tp -78.26 -50.72 11.33 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.545 ' HA ' HD11 ' A' ' 97' ' ' ILE . 7.0 ttp -65.81 -47.98 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.108 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -67.23 -36.96 82.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.97 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -59.39 -61.14 2.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.589 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.458 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -55.78 -42.45 85.61 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.477 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.467 ' HA ' ' CG ' ' A' ' 101' ' ' GLU . 25.3 t70 -96.32 38.63 1.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.851 ' CD ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -31.56 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ASP . 17.1 m-20 -57.83 -18.81 24.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.266 0.485 . . . . 0.0 111.097 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.5 64.13 2.33 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.571 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.34 -7.56 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' A' ' 86' ' ' MET . . . 87.33 -7.7 79.76 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.111 -1.042 . . . . 0.0 112.9 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -146.86 154.81 41.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.565 0.346 . . . . 0.0 110.274 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.545 HD11 ' HA ' ' A' ' 86' ' ' MET . 57.2 mt -104.13 112.27 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.514 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 102' ' ' PHE . . . -88.67 -176.4 46.97 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.755 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.473 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 12.6 p -65.68 -31.69 54.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.634 0.254 . . . . 0.0 111.367 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -72.42 -54.05 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 110.578 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.16 -26.73 65.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.34 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 98' ' ' GLY . 24.1 t80 -52.57 -28.66 21.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.01 0.434 . . . . 0.0 109.906 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.431 ' OG ' ' CB ' ' A' ' 40' ' ' ALA . 43.8 t -77.1 -36.46 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.086 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.851 HG21 ' CD ' ' A' ' 91' ' ' LYS . 70.5 m -60.45 -32.76 71.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.756 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.629 HD13 ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -58.21 -35.08 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.53 -35.26 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.76 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.536 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.36 -69.24 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.211 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.579 ' CE ' HD13 ' A' ' 5' ' ' LEU . 5.5 mmt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.797 0.332 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.2 p -127.95 -40.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.373 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -84.87 -23.8 28.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 5' ' ' LEU . 2.9 mp -100.25 -70.18 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.844 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.806 HD21 HG12 ' A' ' 43' ' ' VAL . 63.1 mt -75.82 147.01 39.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.254 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.593 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.35 109.32 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.844 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.01 89.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.175 0.512 . . . . 0.0 110.875 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 25.6 tt0 -57.51 -41.51 80.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 1.5 m-20 -69.78 -52.27 26.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.435 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 7' ' ' SER . 7.4 mt -53.97 -34.73 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.374 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -70.09 -51.47 31.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.812 0.339 . . . . 0.0 110.617 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HE3' ' HG3' ' A' ' 9' ' ' GLU . 31.8 mttt -69.46 -52.23 28.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.319 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.49 68.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.736 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.568 HD13 ' O ' ' A' ' 70' ' ' PHE . 12.0 mt -66.94 -50.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.231 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.68 -4.47 72.91 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.603 -0.808 . . . . 0.0 114.111 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -81.43 -48.84 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.362 0.581 . . . . 0.0 111.891 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -136.68 63.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 112.032 -179.229 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 74' ' ' ALA . 68.4 p -50.49 -47.42 57.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.265 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -45.72 -51.65 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.331 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 18' ' ' PHE . . . -51.45 -49.27 62.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.293 0.568 . . . . 0.0 109.883 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -66.16 -32.75 74.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.884 178.232 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.4 t -56.93 -54.26 48.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 25.4 p90 -96.2 -8.92 31.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.442 ' CA ' ' OE2' ' A' ' 81' ' ' GLU . 2.3 m-20 -170.35 92.74 0.2 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.536 ' H ' HD21 ' A' ' 85' ' ' LEU . 67.9 m-70 -70.16 -14.57 62.7 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.568 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -49.7 -52.0 34.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.702 0.287 . . . . 0.0 110.577 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -59.29 -47.17 86.38 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.694 ' O ' HG12 ' A' ' 33' ' ' VAL . 36.0 t80 -54.76 -36.2 64.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.426 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -52.65 -32.24 41.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.264 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.1 mt-30 -83.77 -45.42 13.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.047 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.453 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -72.39 -34.38 67.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.708 HG11 HD12 ' A' ' 35' ' ' LEU . 14.5 p -64.65 -21.21 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.698 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.67 58.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.772 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.708 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -63.66 -33.6 75.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.7 mtpp -81.94 -23.13 36.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.584 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 2.8 tmtp? -48.44 -42.46 32.46 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.135 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 10.0 mmpt? -101.33 -179.86 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.899 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -86.99 162.57 17.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.279 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -50.49 -30.39 12.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.794 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 8.3 m-20 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' CB ' ' HB3' ' A' ' 38' ' ' LYS . 8.1 m-20 -62.37 -52.92 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.806 HG12 HD21 ' A' ' 6' ' ' LEU . 35.9 m -57.7 -38.49 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.622 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 72.8 mttt -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.466 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 1.2 mptm? -58.77 -53.12 61.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.108 0.48 . . . . 0.0 110.126 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 43' ' ' VAL . 2.3 p -51.7 -25.83 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.979 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.515 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 36.4 t80 -51.84 -61.74 2.07 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.455 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -64.72 -33.04 75.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.7 mt -53.49 -49.04 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.612 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.567 HD11 ' OD2' ' A' ' 51' ' ' ASP . 3.9 pp -87.88 -30.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.921 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.567 ' OD2' HD11 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -120.13 58.93 0.9 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.177 -0.327 . . . . 0.0 110.987 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -35.1 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.587 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -114.13 26.06 10.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.761 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 71.4 mmtt -97.36 -3.11 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 10.9 t 76.19 11.65 2.86 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.15 16.3 35.72 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.378 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -155.67 135.13 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.589 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.591 ' CG2' HD22 ' A' ' 63' ' ' LEU . 3.4 mt -104.91 138.11 31.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.355 0.598 . . . . 0.0 110.885 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 62' ' ' GLU . 3.4 mm-40 -105.65 129.0 53.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.241 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -34.92 -32.71 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.471 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.7 m-20 -66.56 -50.46 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 109.997 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 15.8 mm-40 -85.68 -19.55 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.526 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.591 HD22 ' CG2' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -52.3 -53.5 43.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.037 0.446 . . . . 0.0 110.42 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.769 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -60.88 -21.3 58.5 Favored Glycine 0 C--N 1.318 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.171 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.539 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.3 m -82.78 -61.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.482 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 5.5 tp -54.26 -18.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.438 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -44.13 -49.08 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.267 179.126 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -51.36 -16.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.62 -49.63 15.81 Favored Glycine 0 C--N 1.341 0.812 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.331 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.568 ' O ' HD13 ' A' ' 15' ' ' ILE . 9.8 p90 -96.77 -51.07 4.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 78.7 p -67.63 2.96 1.56 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 113.985 -1.461 . . . . 0.0 114.478 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.3 p -44.83 -24.57 0.22 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.728 0.695 . . . . 0.0 111.504 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.26 -26.02 16.11 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 110.639 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.485 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -108.33 -166.97 1.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' SER . 99.5 mtt180 -83.95 -179.98 7.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.004 0.431 . . . . 0.0 111.736 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 67' ' ' LEU . 8.7 m-20 -93.02 -170.22 2.36 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.403 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.769 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.2 OUTLIER -93.04 136.54 33.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.4 p -105.52 -175.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.61 -50.22 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.146 0.498 . . . . 0.0 110.81 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 84' ' ' THR . 6.6 mtpm? -50.57 -51.97 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.55 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.9 mm-40 -71.5 -32.45 68.23 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.451 ' OG1' HD11 ' A' ' 77' ' ' LEU . 35.0 m -55.65 -49.21 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.761 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 5.1 mmpt? -76.94 -43.21 36.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.084 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 86.6 m -74.55 -54.97 6.45 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -175.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD21 ' H ' ' A' ' 26' ' ' HIS . 3.6 mm? -73.85 -43.24 59.27 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.515 ' HE1' HD23 ' A' ' 63' ' ' LEU . 14.2 mtp -72.75 -50.94 21.29 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.379 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -62.85 -30.2 71.33 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.944 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -70.13 -58.3 3.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.707 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.46 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -56.32 -35.76 66.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.294 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.0 p30 -95.01 38.79 1.12 Allowed 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 122.407 0.283 . . . . 0.0 110.718 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.781 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.32 -36.21 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -178.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -57.27 -18.33 16.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.717 0.294 . . . . 0.0 111.42 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.26 60.09 2.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 116.395 -0.366 . . . . 0.0 112.888 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -113.61 -9.54 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.15 -26.12 9.23 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.212 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -126.35 157.25 38.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.546 0.338 . . . . 0.0 110.263 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 86' ' ' MET . 33.0 mt -106.3 112.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.045 0.45 . . . . 0.0 111.616 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.83 25.83 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.743 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.515 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 10.8 p -47.86 -35.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.493 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -72.74 -54.35 9.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.47 0.652 . . . . 0.0 110.158 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -59.61 -32.72 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.11 -179.654 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -52.2 -25.43 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.197 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.3 p -70.27 -45.1 67.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.781 HG21 ' CB ' ' A' ' 91' ' ' LYS . 88.1 m -58.19 -38.53 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.219 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.736 HD13 ' CE2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -53.01 -36.71 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.414 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.82 -42.14 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.37 -26.57 46.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.55 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -57.39 -69.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.755 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 7.2 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.523 ' SD ' HD12 ' A' ' 5' ' ' LEU . 6.1 tpp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.847 0.356 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.526 HG23 ' HB2' ' A' ' 8' ' ' ALA . 92.9 m -110.28 -43.95 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.04 -17.4 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.523 HD12 ' SD ' ' A' ' 2' ' ' MET . 3.5 mt -108.21 -70.77 0.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.191 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.599 HD21 HG12 ' A' ' 43' ' ' VAL . 56.6 mt -84.8 140.93 30.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 11' ' ' ILE . 7.2 p -52.65 110.21 0.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.526 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -63.98 -44.22 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.35 -41.67 84.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 11.0 t0 -56.01 -52.54 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.595 ' HA ' HG23 ' A' ' 33' ' ' VAL . 10.8 mt -56.53 -53.69 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.134 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.49 -45.14 94.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.477 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.643 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 15.6 mtpp -64.08 -52.44 59.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.284 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 32' ' ' MET . . . -66.06 -44.05 85.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.779 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.581 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 8.7 mt -54.47 -48.65 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -9.13 58.05 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.593 -0.813 . . . . 0.0 114.146 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -64.78 -57.07 9.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.512 0.656 . . . . 0.0 111.688 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -134.17 70.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.8 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 p -41.73 -34.73 0.66 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 111.422 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -49.49 -43.67 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 18' ' ' PHE . . . -48.76 -64.97 0.65 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.074 0.464 . . . . 0.0 110.024 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.16 -22.54 66.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.686 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 3.3 t -61.78 -53.92 49.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.725 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 26.3 p90 -95.47 -41.18 9.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.471 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.6 m-20 -152.6 107.75 3.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 111.761 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.536 ' HB3' HD22 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -69.86 -14.32 62.69 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 26.3 mmmt -50.7 -51.09 52.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -59.71 -44.21 93.79 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 33' ' ' VAL . 27.7 t80 -57.27 -37.0 71.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.218 178.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HZ ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.6 -28.47 21.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.194 0.521 . . . . 0.0 109.691 178.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 37.2 mt-30 -83.31 -49.05 9.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.17 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 14.0 mmt -71.67 -27.73 63.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.899 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.045 HG11 HD12 ' A' ' 35' ' ' LEU . 14.2 p -70.59 -24.98 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.425 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' OD2' ' A' ' 10' ' ' ASP . . . 89.27 20.53 45.09 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.598 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.045 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -70.84 -26.98 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.255 0.55 . . . . 0.0 109.732 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.3 mtpp -83.77 5.95 23.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.705 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -52.14 -55.33 21.64 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 110.719 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -124.63 -173.21 2.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.281 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 m -55.1 173.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -67.24 -20.13 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -63.07 -44.87 94.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 5.0 m-20 -61.03 -52.53 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.709 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.599 HG12 HD21 ' A' ' 6' ' ' LEU . 28.6 m -61.04 -42.1 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.306 0.574 . . . . 0.0 110.423 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 43' ' ' VAL . 34.8 ttmt -52.47 -30.3 29.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.754 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CB ' HD13 ' A' ' 5' ' ' LEU . 1.7 mptm? -58.9 -45.29 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.777 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 43' ' ' VAL . 1.5 p -62.58 -27.43 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CD1' ' CE1' ' A' ' 102' ' ' PHE . 10.0 t80 -60.79 -30.5 70.09 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -72.35 -30.73 65.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.51 -48.51 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.206 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.0 pp -86.44 -35.18 19.84 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.424 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 47' ' ' PHE . 11.7 t70 -106.42 52.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.664 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.6 -54.33 12.43 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.512 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 4.0 p30 -116.62 23.17 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' PHE . 26.6 tptp -84.28 -1.54 55.47 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 8.4 t 82.83 15.06 0.38 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 -13.36 54.35 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.397 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 86.6 m-85 -128.33 127.52 42.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.689 ' HB ' HD21 ' A' ' 63' ' ' LEU . 7.3 mt -104.14 142.22 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.419 0.628 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -104.68 142.4 34.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.514 -176.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.726 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.8 pt-20 -38.13 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.344 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 m-20 -69.15 -51.78 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.66 0.267 . . . . 0.0 111.195 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.3 mp0 -85.27 -26.76 26.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 110.094 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.738 ' O ' HD23 ' A' ' 67' ' ' LEU . 16.0 mt -46.67 -49.8 18.75 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.685 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -68.37 -26.48 74.24 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.512 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 54.6 m -82.56 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 0.0 109.574 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.77 HG22 ' O ' ' A' ' 62' ' ' GLU . 7.5 tp -56.72 -16.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.955 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.884 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -61.12 -44.4 97.4 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -59.51 -8.3 1.82 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.572 -0.451 . . . . 0.0 112.151 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 68' ' ' LYS . . . -49.22 -43.68 33.71 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.422 -1.37 . . . . 0.0 110.12 176.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.884 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.5 p90 -97.31 -47.83 5.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.224 0.535 . . . . 0.0 109.681 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' ALA . 7.7 m -71.07 -0.14 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.505 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.9 p -46.49 -25.25 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -96.76 27.66 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.229 0.538 . . . . 0.0 110.572 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -150.47 -79.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.269 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 23' ' ' SER . 13.3 ptp180 -170.18 -158.59 0.17 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.04 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -111.7 -173.55 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.339 0.59 . . . . 0.0 112.106 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.499 ' HB3' ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -117.79 84.65 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.966 -179.594 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.0 p -69.99 -173.72 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.74 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -48.63 29.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.288 0.566 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.8 ttmt -50.16 -52.98 30.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.235 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 84' ' ' THR . 3.4 mm-40 -71.02 -30.82 67.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.673 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 86' ' ' MET . 62.8 m -61.5 -48.73 79.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 15.7 mmtp -75.33 -28.48 59.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.145 177.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.481 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 86.8 m -87.51 -57.49 2.93 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 26' ' ' HIS . 46.3 tp -81.66 -52.03 7.59 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.727 ' HG2' HD13 ' A' ' 63' ' ' LEU . 9.3 tpp -60.92 -51.47 69.13 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.304 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -54.63 -25.81 28.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.687 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' A' ' 27' ' ' LYS . . . -78.04 -59.37 2.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.235 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.656 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -50.25 -44.63 43.9 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.622 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.4 p30 -89.79 38.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.541 0.336 . . . . 0.0 110.239 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -30.05 -34.5 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.533 1.133 . . . . 0.0 113.451 -178.706 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.4 m-20 -54.71 -19.97 7.34 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.636 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.07 50.78 3.36 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 116.278 -0.419 . . . . 0.0 113.621 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -113.3 -10.59 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.8 0.3 . . . . 0.0 111.417 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.39 -14.47 28.76 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.57 -0.824 . . . . 0.0 114.436 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 80.7 mttt -121.58 142.55 50.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.823 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 105' ' ' LEU . 27.6 mt -105.48 140.46 23.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' HA2' ' CZ ' ' A' ' 47' ' ' PHE . . . -146.4 -171.78 16.1 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.956 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.4 t -48.28 -61.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 0.0 110.988 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.6 -51.24 67.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.235 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -29.24 69.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.953 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.681 ' CD1' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -54.63 -22.58 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -73.84 -42.77 60.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.069 0.461 . . . . 0.0 109.862 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 91' ' ' LYS . 40.6 m -61.5 -42.13 98.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.571 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.681 HD11 ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -52.94 -28.26 22.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.559 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.3 t -68.84 -37.96 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.012 0.434 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.45 -22.92 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.883 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.417 ' OE1' ' CA ' ' A' ' 88' ' ' ALA . 12.5 mm-40 -64.96 -72.11 0.16 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.162 0.506 . . . . 0.0 111.354 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 3.3 t . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.492 ' HE2' HG21 ' A' ' 46' ' ' VAL . 3.6 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.453 HG23 ' HB2' ' A' ' 8' ' ' ALA . 60.9 m -100.33 -34.49 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.9 -22.63 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 45' ' ' LYS . 24.8 mt -85.5 -64.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.154 0.502 . . . . 0.0 111.101 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.846 ' HB2' HD11 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -89.12 173.07 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.414 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.84 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.4 m -76.02 110.36 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.143 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -57.25 -36.29 70.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.455 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.13 -44.83 71.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -62.19 -52.6 63.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 111.674 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.846 HD11 ' HB2' ' A' ' 6' ' ' LEU . 4.4 mt -55.5 -51.33 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -58.36 -49.38 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.406 . . . . 0.0 110.547 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 80.1 mttt -63.27 -50.05 71.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HB1' ' HD1' ' A' ' 29' ' ' PHE . . . -66.02 -51.84 54.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.979 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 70' ' ' PHE . 8.2 mt -55.92 -35.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.669 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.07 -45.39 3.87 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.283 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -62.99 -20.98 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' HB3' ' CB ' ' A' ' 22' ' ' ASP . 11.3 m-85 -89.82 99.45 12.45 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 20' ' ' ALA . 9.3 t -91.5 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.535 ' N ' HG23 ' A' ' 19' ' ' THR . . . -99.69 -56.58 2.35 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.391 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -42.53 -66.36 0.37 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 111.799 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' CE1' ' A' ' 26' ' ' HIS . 9.7 t70 -61.88 -19.63 62.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -67.63 -52.94 32.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.561 179.44 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 31.5 p90 -96.74 -11.17 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HA ' ' OE1' ' A' ' 81' ' ' GLU . 38.0 t70 -164.03 95.73 0.78 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 61.6 m80 -71.35 -12.68 61.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.84 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' HD11 ' A' ' 85' ' ' LEU . 1.2 mtpp -46.9 -54.1 10.73 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.273 -0.267 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.06 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' ' 33' ' ' VAL . 21.2 t80 -51.93 -33.29 36.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.819 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.737 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.32 -33.58 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.841 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.642 ' HB2' ' HE3' ' A' ' 32' ' ' MET . 21.1 mt-30 -84.0 -42.94 15.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.642 ' HE3' ' HB2' ' A' ' 31' ' ' GLN . 20.9 mmt -72.15 -33.43 67.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.567 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.815 HG11 HD12 ' A' ' 35' ' ' LEU . 13.2 p -66.04 -23.88 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.173 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.83 13.53 49.79 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.815 HD12 HG11 ' A' ' 33' ' ' VAL . 2.0 mt -63.81 -33.16 75.05 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.4 mtpp -90.01 -15.72 31.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.494 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HD2' ' OG ' ' A' ' 7' ' ' SER . 61.1 tttp -38.62 -35.54 0.2 Allowed 'General case' 0 C--N 1.34 0.185 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -121.31 -99.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -146.31 178.88 7.91 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.79 0.328 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -65.4 -28.85 69.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.183 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 3.0 p30 -63.92 -50.16 69.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 11.8 m-20 -55.37 -52.63 62.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.26 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.697 HG12 HD23 ' A' ' 35' ' ' LEU . 27.8 m -61.0 -35.42 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.366 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.0 ttpt -50.38 -29.68 10.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.415 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HE2' ' CA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -56.78 -50.76 71.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.426 -178.376 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 43' ' ' VAL . 2.0 p -55.12 -27.56 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.96 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.501 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 31.5 t80 -51.73 -49.27 62.87 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.482 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -67.62 -27.47 66.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.318 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -69.31 -49.36 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.47 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 58' ' ' ILE . 4.6 pp -88.07 -26.42 22.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.914 -178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t70 -90.21 -2.76 58.08 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 49.5 pttt -47.06 -38.46 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 28.8 m-20 -110.23 26.27 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.409 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 71.8 mmtt -115.81 10.47 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.795 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.6 p 57.39 17.34 3.71 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.424 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . 101.29 -4.54 55.02 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.258 -0.973 . . . . 0.0 113.894 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 37.1 m-85 -138.88 133.11 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.31 0.555 . . . . 0.0 111.611 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 50' ' ' LEU . 2.2 mt -103.0 129.79 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 63' ' ' LEU . 11.4 tt0 -103.35 145.89 29.29 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.834 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HA ' ' HG3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -45.2 -45.52 11.72 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.57 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.36 -51.23 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.076 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 66' ' ' ILE . 44.7 mt-10 -78.06 -13.21 59.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.893 ' CD1' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -57.59 -42.93 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.306 -179.236 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.578 ' CA ' HD23 ' A' ' 77' ' ' LEU . . . -65.64 -25.48 71.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.69 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 m -81.94 -58.25 3.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.217 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.6 tp -61.85 -16.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.583 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.893 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -56.78 -32.11 65.32 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.458 0.646 . . . . 0.0 110.686 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.53 -21.76 1.06 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.957 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.61 -53.6 7.0 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.636 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.632 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -96.97 -41.61 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.51 178.37 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.513 ' HG ' ' C ' ' A' ' 67' ' ' LEU . 28.4 p -70.5 0.47 6.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.821 -1.081 . . . . 0.0 113.157 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.0 t -46.06 -25.76 0.63 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 122.083 -0.386 . . . . 0.0 111.071 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 7.7 t70 -90.7 -30.21 17.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.058 0.456 . . . . 0.0 110.141 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -91.73 -152.61 0.3 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.413 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -91.99 -91.25 0.16 Allowed 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.324 -0.235 . . . . 0.0 111.411 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p30 168.5 139.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 111.456 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.578 HD23 ' CA ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER -46.95 92.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.423 178.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.8 p -75.83 -171.96 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 83' ' ' LYS . . . -47.6 -50.43 24.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.094 0.473 . . . . 0.0 110.852 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 84' ' ' THR . 54.8 mtmt -50.62 -53.94 26.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.302 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.5 mm-40 -72.19 -26.64 62.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 52.0 m -61.72 -52.29 64.88 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.211 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.859 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -77.76 -28.19 50.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.441 177.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.462 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 87.8 m -87.98 -57.33 2.97 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 27' ' ' LYS . 3.7 mm? -77.73 -49.24 14.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.478 ' HE3' ' O ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -65.81 -50.9 62.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.388 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -60.66 -31.7 70.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.139 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -81.78 -59.18 2.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.726 0.298 . . . . 0.0 110.22 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.589 ' CA ' HD13 ' A' ' 105' ' ' LEU . . . -48.36 -35.39 14.99 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.446 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.4 p-10 -95.59 38.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.587 ' HB3' HG21 ' A' ' 104' ' ' THR . 1.3 tmtm? -29.1 -35.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.543 1.137 . . . . 0.0 113.751 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' ASP . 18.1 t70 -55.34 -19.04 7.64 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.021 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 57.9 3.26 Favored Glycine 0 C--N 1.335 0.503 0 C-N-CA 121.544 -0.36 . . . . 0.0 113.281 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.6 -9.73 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 78.06 -4.5 57.94 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.326 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -140.43 147.27 39.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 90' ' ' ASP . 40.1 mt -104.97 113.53 42.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.961 0.41 . . . . 0.0 111.245 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.48 171.7 17.68 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.501 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 7.9 p -47.71 -39.33 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.66 -48.53 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -32.74 72.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.42 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -52.68 -30.45 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.0 t -69.97 -43.06 72.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.587 HG21 ' HB3' ' A' ' 91' ' ' LYS . 32.2 m -57.88 -36.66 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.073 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.677 HD21 ' CE1' ' A' ' 30' ' ' PHE . 11.0 tp -59.02 -36.52 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.16 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.94 -35.31 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.908 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.71 -37.71 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.668 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 15.9 mm-40 -49.87 -71.01 0.07 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 110.648 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.461 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 7.5 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.534 ' HG2' HD12 ' A' ' 6' ' ' LEU . 9.4 tpt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.499 HG22 ' CB ' ' A' ' 8' ' ' ALA . 25.2 p -96.99 -21.48 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.494 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.438 ' C ' HD22 ' A' ' 5' ' ' LEU . 9.0 m-20 -69.56 -35.27 75.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 42' ' ' ASP . 1.6 mm? -101.0 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.743 HD21 HG12 ' A' ' 43' ' ' VAL . 68.8 mt -74.41 137.88 42.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.0 p -54.47 110.3 0.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.499 ' CB ' HG22 ' A' ' 3' ' ' THR . . . -60.58 -41.7 95.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.485 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -64.76 -48.94 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.13 -53.22 59.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.418 0.628 . . . . 0.0 111.531 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.713 HD11 ' CB ' ' A' ' 6' ' ' LEU . 10.5 mt -55.76 -53.38 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.201 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.99 -33.37 71.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HD3' ' HG2' ' A' ' 9' ' ' GLU . 16.2 mtpp -73.45 -52.53 13.35 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.386 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -34.29 75.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.732 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' A' ' 74' ' ' ALA . 10.7 mt -73.7 -41.89 54.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.475 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.68 -4.64 59.09 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.617 -0.801 . . . . 0.0 114.485 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -90.55 -50.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.909 0.855 . . . . 0.0 112.636 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -133.79 63.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.436 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.5 p -41.98 -37.53 1.37 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -46.7 -38.77 10.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.909 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.519 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -51.73 -66.47 0.38 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.063 0.458 . . . . 0.0 109.837 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.49 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 14.4 t70 -59.76 -21.05 60.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.618 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.5 t -66.92 -58.28 5.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 36.0 p90 -95.79 -39.58 9.78 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.5 m-20 -148.34 98.74 2.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 111.47 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.789 ' H ' HD21 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -70.07 -18.99 63.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.91 -52.11 15.25 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.099 -0.376 . . . . 0.0 110.15 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE3' ' CA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -60.65 -46.8 88.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.136 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 1.6 t80 -55.36 -29.43 58.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.172 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.644 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -64.45 -27.4 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.82 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 48.2 mt-30 -83.16 -52.72 6.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.751 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.447 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 22.4 mtt -68.64 -29.37 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 111.238 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.988 HG11 HD12 ' A' ' 35' ' ' LEU . 11.3 p -65.86 -24.55 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 87.27 24.13 38.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.665 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.988 HD12 HG11 ' A' ' 33' ' ' VAL . 3.9 mt -70.09 -27.97 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.155 0.503 . . . . 0.0 109.766 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -92.28 -6.8 49.67 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 178.674 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -44.05 -28.39 0.48 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -133.93 -100.99 0.25 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.489 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB2' ' OD2' ' A' ' 41' ' ' ASP . 61.2 m -146.22 179.18 7.68 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.799 0.333 . . . . 0.0 111.367 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -62.7 -31.75 72.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 39' ' ' SER . 2.8 p30 -63.97 -36.94 85.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.677 ' HA ' HD12 ' A' ' 5' ' ' LEU . 7.6 m-20 -69.81 -52.48 24.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.576 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.743 HG12 HD21 ' A' ' 6' ' ' LEU . 35.4 m -61.0 -36.12 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.7 mttm -52.01 -27.14 12.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.182 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' CG ' ' HG ' ' A' ' 5' ' ' LEU . 14.2 mptt -56.12 -29.37 60.59 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.048 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.06 -33.37 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.4 t80 -55.75 -33.84 64.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.058 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.403 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 39.8 t-80 -72.32 -27.29 62.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 45' ' ' LYS . 23.4 mm -78.17 -49.36 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.2 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.778 HD21 ' HA3' ' A' ' 69' ' ' GLY . 16.1 mt -79.07 -41.72 28.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.935 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.531 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . 12.1 t70 -106.73 47.75 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.98 -49.77 41.67 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.7 p30 -115.62 19.65 15.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HD3' HG23 ' A' ' 58' ' ' ILE . 48.2 mttm -90.73 12.32 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m 66.19 34.86 6.4 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.03 3.84 57.38 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.375 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.405 ' CD1' ' HA3' ' A' ' 98' ' ' GLY . 86.9 m-85 -139.9 134.32 31.45 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.757 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.664 ' HB ' HD22 ' A' ' 63' ' ' LEU . 10.8 mt -104.4 142.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.879 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.4 mt-10 -103.39 133.19 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.813 0.816 . . . . 0.0 111.805 -177.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HA ' ' CE ' ' A' ' 86' ' ' MET . 2.0 pt-20 -33.93 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.176 -1.375 . . . . 0.0 113.086 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.2 m-20 -70.1 -52.01 27.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.533 ' O ' HG22 ' A' ' 66' ' ' ILE . 14.7 mm-40 -83.75 -17.65 40.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.787 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -51.55 -54.55 26.22 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.406 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' ASP . . . -67.03 -19.69 70.17 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.239 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -87.95 -55.96 3.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.525 0.679 . . . . 0.0 109.898 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 62' ' ' GLU . 3.7 tp -64.3 -17.75 21.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.872 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.86 HD13 HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -53.42 -22.87 8.44 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.263 0.554 . . . . 0.0 110.708 178.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 72' ' ' SER . 47.7 mtpt -49.31 -18.99 0.43 Allowed 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.995 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.778 ' HA3' HD21 ' A' ' 50' ' ' LEU . . . -41.58 -50.56 4.8 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.034 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.71 -53.3 3.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.641 0.734 . . . . 0.0 109.773 177.117 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 p -70.82 1.84 4.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.7 p -44.79 -23.9 0.17 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.369 0.531 . . . . 0.0 111.877 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -120.53 51.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.842 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -162.58 -91.45 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -150.38 -170.52 3.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.73 0.3 . . . . 0.0 111.304 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 4.5 p-10 -128.14 150.12 50.12 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.119 0.485 . . . . 0.0 111.959 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.071 HD11 ' HE3' ' A' ' 86' ' ' MET . 0.1 OUTLIER -68.75 112.89 5.75 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.974 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' THR . 39.3 t -102.59 -165.21 1.16 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.738 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -52.21 20.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.498 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -53.19 -47.82 68.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.206 0.527 . . . . 0.0 110.097 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.816 ' HB2' HD12 ' A' ' 77' ' ' LEU . 2.0 mm-40 -72.47 -24.93 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.669 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' SER . 36.3 m -61.95 -50.73 70.97 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.788 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 10.8 mtpp -76.92 -30.3 56.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.043 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.489 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 58.5 m -87.35 -56.6 3.29 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD21 ' H ' ' A' ' 26' ' ' HIS . 3.5 mm? -80.48 -53.15 6.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 1.071 ' HE3' HD11 ' A' ' 77' ' ' LEU . 32.9 mtt -61.01 -50.95 71.3 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 119.131 -1.028 . . . . 0.0 110.183 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -58.17 -25.58 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.004 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -82.2 -65.45 1.01 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.004 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -52.37 -34.31 41.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.662 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' ASP . 39.2 t0 -95.19 38.22 1.14 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.051 -0.575 . . . . 0.0 110.973 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.835 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -31.16 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.518 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.9 t70 -56.34 -19.84 16.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.536 0.208 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.47 48.97 5.1 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.757 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -113.84 -10.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.105 0.453 . . . . 0.0 111.745 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.418 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 87.42 -25.07 8.51 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.394 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 73.9 mttt -115.2 144.53 43.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.409 0.284 . . . . 0.0 110.51 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.426 HG12 ' HB2' ' A' ' 90' ' ' ASP . 36.5 mt -105.0 111.76 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.345 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 57' ' ' PHE . . . -93.61 -160.8 35.27 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.653 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.487 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 9.9 p -68.42 -37.91 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.751 0.31 . . . . 0.0 111.248 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.475 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -72.93 -53.49 11.16 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.375 0.607 . . . . 0.0 110.252 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.413 ' HG2' ' OD1' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -54.59 -38.04 66.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.399 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.11 -25.45 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 109.952 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.8 m -73.24 -45.49 55.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.327 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.835 HG21 ' CB ' ' A' ' 91' ' ' LYS . 89.0 m -57.63 -36.91 72.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 110.438 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.644 HD13 ' CE2' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -55.58 -37.4 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.36 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.96 -37.48 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.347 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.0 -27.95 39.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.389 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.83 -69.97 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.784 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.44 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.546 ' HG2' HD12 ' A' ' 6' ' ' LEU . 9.7 tpt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.975 0.417 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 8' ' ' ALA . 92.8 m -116.54 -27.13 6.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.593 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.525 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 5.4 mp -109.92 -66.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.353 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.546 HD12 ' HG2' ' A' ' 2' ' ' MET . 76.9 mt -73.98 137.42 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.344 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.401 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 19.7 m -64.2 111.11 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.841 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.439 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -52.58 -27.07 15.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.223 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.467 ' HG3' ' HD3' ' A' ' 13' ' ' LYS . 4.3 tp10 -69.29 -48.73 60.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.508 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 0.9 OUTLIER -59.3 -53.28 60.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.521 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 6' ' ' LEU . 25.7 mt -56.13 -53.25 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -59.62 -31.81 69.84 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.16 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 38.8 mtpt -70.94 -53.28 15.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.163 0.506 . . . . 0.0 110.763 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -69.35 -40.57 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.764 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 1.064 HG23 ' HB2' ' A' ' 74' ' ' ALA . 10.5 mm -55.77 -48.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.433 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.63 -38.99 4.53 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 115.345 0.898 . . . . 0.0 115.345 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -36.77 -43.02 0.41 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.947 ' CD1' ' HB3' ' A' ' 21' ' ' ALA . 6.2 p90 -118.12 146.91 43.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.368 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 m -93.47 -49.75 5.76 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -98.68 -13.1 20.44 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.947 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . . . -46.7 -44.14 18.42 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.661 0.664 . . . . 0.0 111.474 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.52 ' CB ' ' CD2' ' A' ' 26' ' ' HIS . 7.2 p-10 -70.03 -33.01 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.2 t -69.96 -28.39 65.52 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.558 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 91.9 t80 -95.85 -55.77 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.421 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.401 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 35.0 t0 -162.65 104.81 1.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.217 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -66.23 -9.56 33.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.59 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 1.8 mptt -44.86 -56.28 4.67 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.32 0.581 . . . . 0.0 110.579 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.71 -48.95 79.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.428 179.034 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.716 ' O ' HG12 ' A' ' 33' ' ' VAL . 41.4 t80 -49.78 -39.1 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.008 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.855 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -57.93 -32.94 68.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.55 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 16.6 mt-30 -84.04 -39.57 19.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.7 mmm -71.93 -35.71 69.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 111.222 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.743 HG11 HD13 ' A' ' 35' ' ' LEU . 7.6 p -64.99 -24.58 35.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.74 22.65 42.05 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.944 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.743 HD13 HG11 ' A' ' 33' ' ' VAL . 1.5 mp -70.5 -34.69 72.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 4.3 mtpp -75.63 -10.81 59.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.891 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -45.15 -55.07 6.09 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.28 -172.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.814 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -72.2 171.69 11.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.147 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -55.74 -26.88 47.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.85 -40.73 96.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.961 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.534 ' O ' ' HE1' ' A' ' 2' ' ' MET . 16.0 t70 -65.01 -53.0 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 46' ' ' VAL . 23.3 m -61.29 -35.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.391 0.615 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 50.4 tttm -50.46 -26.35 4.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.636 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HB2' ' HE1' ' A' ' 2' ' ' MET . 5.8 mptp? -58.72 -47.41 84.68 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.048 -0.407 . . . . 0.0 110.654 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.7 p -61.92 -27.51 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 40.5 t80 -68.53 -32.75 72.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.586 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.29 -32.73 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 45' ' ' LYS . 6.2 mm -69.58 -49.3 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.955 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.9 pp -82.19 -43.71 17.33 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.543 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.53 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.1 t70 -93.36 45.56 1.17 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.563 0.22 . . . . 0.0 111.52 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.15 -52.1 26.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.712 0.291 . . . . 0.0 111.296 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 4.5 p-10 -116.43 4.93 13.39 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.462 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HG2' HG12 ' A' ' 58' ' ' ILE . 3.1 tppp? -61.47 -13.31 19.7 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 5.8 p 90.89 17.82 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.054 0.541 . . . . 0.0 112.417 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.65 -13.08 54.35 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.931 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 96.3 m-85 -130.88 125.91 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.281 0.541 . . . . 0.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.698 HG21 HD13 ' A' ' 63' ' ' LEU . 3.7 mt -104.78 136.83 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 121.321 0.582 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' HA ' ' HG3' ' A' ' 96' ' ' LYS . 15.8 mt-10 -102.44 122.73 44.89 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.84 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.87 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -36.48 -33.44 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.015 -1.448 . . . . 0.0 112.574 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 6.6 m-20 -64.62 -50.22 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.431 . . . . 0.0 110.353 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 1.4 mp0 -89.0 -16.21 32.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.389 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.913 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -54.24 -30.34 49.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.715 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -66.16 -25.96 72.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.554 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 t -84.16 -55.52 4.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.813 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.597 HG22 ' HA ' ' A' ' 63' ' ' LEU . 8.4 tp -59.72 -17.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.018 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -50.62 -25.01 3.7 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.981 0.419 . . . . 0.0 111.422 179.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.1 mttp -49.11 -20.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.244 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.05 -54.89 5.91 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.136 -1.03 . . . . 0.0 111.964 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.813 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.38 -39.9 8.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.864 0.84 . . . . 0.0 110.038 178.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.582 ' HA ' HD12 ' A' ' 15' ' ' ILE . 25.0 p -77.51 2.75 15.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.167 -1.379 . . . . 0.0 113.18 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.2 t -45.3 -26.36 0.51 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.084 -0.385 . . . . 0.0 111.199 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.878 ' OD2' HG21 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -110.12 40.32 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.235 0.541 . . . . 0.0 109.85 178.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.064 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -169.43 -160.16 0.25 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.192 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -88.99 -151.47 0.22 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.008 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 8.8 m-20 -142.42 -179.75 6.47 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.262 0.553 . . . . 0.0 111.603 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.715 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -68.35 131.47 45.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.761 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.2 m -103.89 -172.81 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.05 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.94 -51.12 24.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 84' ' ' THR . 59.0 mttp -55.03 -50.53 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.412 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.527 ' HA ' HD23 ' A' ' 85' ' ' LEU . 3.5 mm-40 -66.2 -28.12 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.789 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.87 HG23 ' HB2' ' A' ' 60' ' ' GLU . 58.8 m -59.35 -53.09 62.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.903 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.5 mmmt -78.89 -29.72 44.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.138 177.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 59.3 m -87.51 -58.1 2.7 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 81' ' ' GLU . 2.1 mm? -77.81 -49.92 13.35 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.629 ' SD ' HD13 ' A' ' 77' ' ' LEU . 2.0 mmm -73.12 -49.73 26.69 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.226 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.903 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -61.66 -35.42 77.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.16 -39.07 50.37 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.108 0.48 . . . . 0.0 110.17 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.568 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -67.17 -32.11 79.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.61 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 93' ' ' GLY . 7.5 p30 -93.76 37.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.595 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.5 tmtt? -33.61 -54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.75 37.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.004 0.43 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -128.67 -171.74 13.04 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.707 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -114.05 18.23 17.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 0.0 111.194 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.96 30.96 2.6 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.757 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -151.15 142.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -109.73 110.75 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.768 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.54 -154.5 29.67 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.499 HG13 ' CD ' ' A' ' 100' ' ' GLU . 11.6 p -67.76 -34.87 70.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.499 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.99 -54.07 8.7 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.367 0.604 . . . . 0.0 111.009 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -28.36 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.295 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.505 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.6 t80 -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.343 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 106' ' ' VAL . 86.6 p -78.77 -34.71 45.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.681 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.486 HG21 ' HB3' ' A' ' 91' ' ' LYS . 44.4 m -57.16 -50.2 73.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.85 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.947 HD13 ' N ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -59.0 -24.99 63.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.646 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.947 ' N ' HD13 ' A' ' 105' ' ' LEU . 57.9 t -61.06 -39.96 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 121.082 0.467 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.31 -25.85 55.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.309 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.92 -69.2 0.29 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.24 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.939 0.399 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -89.24 -25.66 21.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.39 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.444 ' HB2' HD22 ' A' ' 5' ' ' LEU . 8.9 m-20 -68.22 -29.9 68.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 5' ' ' LEU . 1.7 mm? -102.25 -67.47 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 6' ' ' LEU . 1.4 mt -75.72 156.99 34.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.312 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.431 ' CB ' ' OD1' ' A' ' 10' ' ' ASP . 5.4 m -67.74 111.28 4.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.943 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.19 -31.13 61.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.217 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 10' ' ' ASP . 10.9 pt-20 -74.9 -48.79 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 1.1 m-20 -52.69 -52.65 55.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.362 0.601 . . . . 0.0 111.106 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.644 HG12 HG22 ' A' ' 33' ' ' VAL . 57.9 mt -59.87 -53.96 41.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.477 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -60.48 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 37.4 mttm -63.49 -52.35 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.867 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -48.95 77.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 1.011 HG23 ' HB2' ' A' ' 74' ' ' ALA . 6.4 mt -54.07 -46.18 66.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.01 -4.01 60.26 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.791 -0.718 . . . . 0.0 114.052 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -76.73 -42.31 41.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.541 0.67 . . . . 0.0 112.074 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.806 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -146.73 140.28 25.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 p -87.46 -16.2 35.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.806 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . . . -45.71 -28.65 1.06 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 29' ' ' PHE . . . -52.71 -64.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.229 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 3.5 p30 -78.32 -23.26 47.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.51 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.6 t -66.83 -66.02 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.479 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.687 ' CE2' ' HB1' ' A' ' 20' ' ' ALA . 10.7 p90 -97.35 -51.34 4.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.467 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 47.0 t0 -170.37 126.53 0.78 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.746 ' HB2' HD22 ' A' ' 85' ' ' LEU . 89.1 m-70 -70.76 -10.38 59.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.777 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HG3' ' HA ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -46.61 -50.14 17.94 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 122.24 0.216 . . . . 0.0 111.329 -178.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 4.9 mmpt? -65.34 -44.89 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.638 ' O ' HG12 ' A' ' 33' ' ' VAL . 33.8 t80 -54.33 -31.2 53.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.224 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -59.79 -30.99 69.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.175 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 28.5 mt-30 -83.87 -42.5 16.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.026 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 1.4 mtp -73.67 -33.19 64.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.745 HG11 HD12 ' A' ' 35' ' ' LEU . 13.5 p -65.46 -24.96 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.919 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 10.94 45.58 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.374 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.871 HD23 HG12 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -65.45 -32.69 74.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 11.2 mtpp -83.88 10.35 9.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.279 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.32 -49.32 61.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.871 0.367 . . . . 0.0 110.524 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HD2' ' A' ' 37' ' ' LYS . 7.6 ttmt -136.65 -161.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.7 179.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.368 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -67.23 -10.48 51.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.824 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.76 -43.25 99.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' OD1' ' HB3' ' A' ' 38' ' ' LYS . 4.8 m-20 -66.16 -52.04 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.871 HG12 HD23 ' A' ' 35' ' ' LEU . 33.5 m -61.08 -39.43 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.512 . . . . 0.0 110.686 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 82.5 mttt -63.14 -32.47 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.287 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HD3' HD11 ' A' ' 5' ' ' LEU . 50.4 mttm -67.7 -58.43 4.66 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' HB2' ' A' ' 2' ' ' MET . 12.1 p -54.67 -27.97 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.996 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.691 ' CE1' HD12 ' A' ' 58' ' ' ILE . 21.8 t80 -76.6 -32.52 58.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.682 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 44' ' ' LYS . 24.7 m80 -68.5 -36.52 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.075 0.464 . . . . 0.0 109.84 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.67 -50.32 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.904 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.2 pp -83.42 -31.81 26.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.89 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.451 ' HA ' ' HG2' ' A' ' 54' ' ' LYS . 18.1 t70 -87.78 13.46 10.59 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.33 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.64 0.257 . . . . 0.0 111.347 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -110.98 26.52 10.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.336 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 26.9 mmmt -114.0 1.37 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m 66.12 23.75 10.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.65 -10.14 75.55 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.587 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -134.73 127.7 31.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.532 . . . . 0.0 111.176 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.691 HD12 ' CE1' ' A' ' 47' ' ' PHE . 4.8 mt -111.74 145.36 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.217 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -100.51 122.08 42.62 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.017 0.913 . . . . 0.0 111.822 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.874 ' HB2' HG23 ' A' ' 82' ' ' THR . 4.9 pt-20 -38.05 -33.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.741 -1.572 . . . . 0.0 112.229 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.4 m-20 -69.78 -52.63 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.95 0.405 . . . . 0.0 110.907 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.98 -19.2 54.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.082 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.804 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -47.41 -46.31 26.13 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.29 -29.96 38.89 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.805 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 t -80.04 -58.73 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.18 0.514 . . . . 0.0 110.001 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG21 HG21 ' A' ' 58' ' ' ILE . 6.5 tp -58.84 -17.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.086 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.4 mt -45.48 -27.54 0.75 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.972 0.415 . . . . 0.0 111.56 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 72' ' ' SER . 77.6 mttt -47.49 -21.91 0.39 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.446 -177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.22 -57.87 4.08 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.294 -0.955 . . . . 0.0 111.206 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.88 -42.11 7.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 109.308 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 74' ' ' ALA . 5.0 m -69.53 1.81 3.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.252 -1.34 . . . . 0.0 114.087 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 31.1 t -44.62 -25.04 0.23 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.502 0.592 . . . . 0.0 110.85 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.521 ' HB2' HG21 ' A' ' 15' ' ' ILE . 3.2 m-20 -105.23 -25.59 12.39 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.225 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -86.94 -162.36 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.678 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -99.21 -158.77 0.7 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.591 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 22' ' ' ASP . 4.9 m-20 -109.44 -179.79 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -109.79 124.62 51.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 109.997 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 82' ' ' THR . 27.8 m -95.86 -171.72 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.76 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.72 -51.04 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' THR . 83.5 mttt -50.44 -52.99 32.91 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -73.8 -29.17 62.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.772 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.874 HG23 ' HB2' ' A' ' 60' ' ' GLU . 77.1 m -61.34 -50.04 74.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.821 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 6.9 mmpt? -76.27 -31.23 58.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.042 -1.435 . . . . 0.0 111.166 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.8 m -89.1 -57.92 2.72 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.746 HD22 ' HB2' ' A' ' 26' ' ' HIS . 45.2 tp -73.24 -48.77 32.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.465 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 1.9 tpp -74.53 -51.29 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.016 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -53.66 -34.36 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.009 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.3 -52.4 16.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.473 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -57.46 -38.86 89.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.233 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' HB3' HG12 ' A' ' 97' ' ' ILE . 3.0 p30 -95.31 37.38 1.18 Allowed 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.4 tmtt? -29.93 -36.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.46 1.104 . . . . 0.0 113.698 -178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASP . 20.0 t70 -55.41 -19.52 9.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.979 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.88 49.91 3.9 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 121.509 -0.377 . . . . 0.0 113.5 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.419 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 6.0 m-20 -113.29 -4.05 13.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.581 0.229 . . . . 0.0 111.293 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 96' ' ' LYS . . . 64.2 12.27 49.46 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.08 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' CE ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -146.59 142.15 27.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' A' ' 90' ' ' ASP . 26.4 mt -111.23 112.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.656 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.01 -166.35 37.09 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.485 HG13 ' CD ' ' A' ' 100' ' ' GLU . 14.7 p -61.36 -32.58 53.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.186 0.493 . . . . 0.0 110.66 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.485 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -74.27 -54.35 7.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.282 0.563 . . . . 0.0 110.97 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.21 -37.82 75.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.634 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 2.6 t80 -52.04 -25.07 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.496 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.8 p -78.0 -42.43 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 91' ' ' LYS . 24.0 m -55.43 -42.27 73.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.476 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.7 tt -54.63 -39.2 67.73 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -55.89 -33.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.771 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.25 -34.69 55.78 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.968 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mm-40 -66.83 -64.49 0.84 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.447 0.642 . . . . 0.0 110.126 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.582 ' HA ' ' HG3' ' A' ' 27' ' ' LYS . 68.7 p . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.877 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.613 ' HG3' HG23 ' A' ' 46' ' ' VAL . 15.4 tmm? . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.598 0.237 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 p -69.92 -25.48 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.395 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.14 -30.55 27.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.024 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.58 HD13 ' HG2' ' A' ' 45' ' ' LYS . 5.2 mp -97.8 -61.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.517 ' CB ' HD11 ' A' ' 11' ' ' ILE . 11.0 mt -74.29 137.5 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.798 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.742 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.5 m -55.24 110.19 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.15 70.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.069 0.461 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.449 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 12.3 pt-20 -71.6 -46.83 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.714 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.407 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 63.0 m-20 -60.74 -52.85 63.34 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 111.357 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 7' ' ' SER . 5.9 mt -56.59 -45.97 82.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.989 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -59.83 -51.81 68.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.449 ' CE ' ' HB2' ' A' ' 9' ' ' GLU . 18.8 mttm -72.0 -51.66 20.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.513 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . . . -54.62 -37.9 66.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.757 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.58 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.4 mt -70.49 -56.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.59 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.13 -49.21 5.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.503 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -40.32 -51.47 2.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.131 0.465 . . . . 0.0 112.009 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 14' ' ' ALA . 20.9 p90 -130.11 111.0 12.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.108 0.48 . . . . 0.0 111.448 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 20' ' ' ALA . 9.0 t -90.89 -46.15 8.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.656 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.5 ' N ' HG23 ' A' ' 19' ' ' THR . . . -46.71 -51.24 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.348 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 24' ' ' PHE . . . -44.67 -65.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.583 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 5.8 p-10 -69.81 -34.19 73.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.507 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.467 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.4 t -51.85 -40.44 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.354 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 1.3 p90 -95.5 -24.87 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.444 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 33.6 t70 -166.91 98.78 0.54 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.278 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -68.96 -17.74 63.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 23.5 mmmt -47.68 -50.22 25.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -60.55 -45.22 94.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.647 ' O ' HG12 ' A' ' 33' ' ' VAL . 46.8 t80 -57.09 -36.43 70.59 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.554 178.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.724 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -53.0 -30.8 37.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.831 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.465 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 36.5 mt-30 -84.35 -41.7 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.478 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.408 ' HG2' ' HA ' ' A' ' 29' ' ' PHE . 10.3 mmm -72.07 -36.43 69.55 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.411 0.624 . . . . 0.0 111.028 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 29' ' ' PHE . 11.2 p -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.47 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.95 28.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.416 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.724 HD22 ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -76.09 -30.08 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.267 179.413 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 31' ' ' GLN . 3.5 mtmp? -82.09 -17.15 47.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.426 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -42.06 -29.21 0.22 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' CD ' ' OD2' ' A' ' 42' ' ' ASP . 53.7 mttm -132.57 -168.89 2.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.2 t -78.12 167.64 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -57.49 -21.3 36.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 10.7 m-20 -68.38 -32.8 73.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.453 ' HA ' ' CD2' ' A' ' 5' ' ' LEU . 5.1 m-20 -73.08 -52.27 14.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.643 ' CG1' HD23 ' A' ' 35' ' ' LEU . 17.0 m -52.74 -35.79 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.32 0.581 . . . . 0.0 110.053 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 44.1 mtpt -50.01 -27.31 5.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.58 ' HG2' HD13 ' A' ' 5' ' ' LEU . 4.3 mptp? -56.78 -48.43 77.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.024 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.613 HG23 ' HG3' ' A' ' 2' ' ' MET . 6.7 p -59.11 -26.99 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.08 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HE1' HD11 ' A' ' 58' ' ' ILE . 9.0 t80 -46.96 -43.18 18.97 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.365 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 60.5 m-70 -75.46 -35.89 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.708 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.448 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 44.1 mm -58.91 -50.41 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.386 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.67 ' O ' HD11 ' A' ' 66' ' ' ILE . 4.0 pp -80.46 -41.46 24.37 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.13 97.54 6.42 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 21.0 ptmt -69.39 -48.72 60.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.159 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 6.4 m-20 -67.75 -20.6 65.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.692 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 87.7 tttt 82.19 -35.84 0.1 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.161 0.584 . . . . 0.0 109.571 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ASP . 47.5 t 63.46 -53.62 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.032 0.933 . . . . 0.0 113.232 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.07 -15.95 54.48 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -178.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.9 m-85 -165.83 126.61 1.82 Allowed 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.843 HG21 HD13 ' A' ' 63' ' ' LEU . 8.6 mt -103.83 142.12 18.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.333 0.587 . . . . 0.0 110.104 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HG2' ' HD2' ' A' ' 96' ' ' LYS . 21.5 mt-10 -101.89 116.8 33.49 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.767 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -39.26 -32.41 0.11 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.892 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.05 -52.32 36.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.045 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.5 -16.67 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.678 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.843 HD13 HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.6 -37.63 65.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.957 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.641 ' N ' HD23 ' A' ' 77' ' ' LEU . . . -61.85 -21.89 61.55 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.879 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -81.25 -62.53 1.63 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 50' ' ' LEU . 10.3 tp -62.94 -19.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.518 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -46.29 -34.6 4.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 72' ' ' SER . 78.5 mttt -49.8 -23.01 1.62 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.775 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.79 -53.12 5.4 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.878 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.681 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.4 p90 -98.02 -45.37 6.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.229 0.537 . . . . 0.0 110.408 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.424 ' HA ' HD13 ' A' ' 15' ' ' ILE . 5.6 m -73.01 0.88 10.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 4.5 t -46.78 -23.43 0.43 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.052 -0.405 . . . . 0.0 111.847 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.7 m-20 -94.15 -12.02 29.22 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -113.49 -93.36 0.47 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 13.3 ptt180 -155.31 -156.5 0.66 Allowed 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.476 -0.14 . . . . 0.0 110.777 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.0 m-20 -124.0 144.75 49.64 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -47.09 121.29 3.62 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 178.177 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -101.08 -177.9 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.638 0.256 . . . . 0.0 110.925 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.89 25.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.189 0.519 . . . . 0.0 110.624 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 39.8 ttmt -52.96 -51.67 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.595 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.947 ' HB2' HD12 ' A' ' 77' ' ' LEU . 32.2 mt-10 -66.16 -25.29 66.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 60' ' ' GLU . 8.4 m -63.29 -51.31 66.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -77.02 -30.24 55.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.874 177.41 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 49.5 m -88.57 -57.84 2.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' CE ' ' A' ' 86' ' ' MET . 0.8 OUTLIER -81.35 -52.36 7.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.72 ' SD ' HD22 ' A' ' 77' ' ' LEU . 6.0 mmt -63.19 -51.11 67.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.304 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.95 -24.82 55.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.637 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -76.07 -65.52 0.9 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.917 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.569 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -46.96 -36.15 8.55 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.536 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 96' ' ' LYS . 6.9 p30 -95.72 37.79 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.116 -0.542 . . . . 0.0 109.932 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.636 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -29.16 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.393 1.077 . . . . 0.0 113.801 -178.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.5 m-20 -54.38 -20.18 6.89 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.721 0.296 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.56 50.1 3.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.75 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -110.74 -8.25 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.585 0.231 . . . . 0.0 111.083 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 67.99 19.52 71.86 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.581 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 13.0 mmtp -148.11 141.42 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.495 HD13 ' HA3' ' A' ' 89' ' ' GLY . 30.4 mt -116.81 113.21 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.072 0.463 . . . . 0.0 111.583 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.38 -170.42 18.23 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.614 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.427 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 14.2 p -56.21 -27.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.427 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.62 -54.32 8.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.377 0.608 . . . . 0.0 110.616 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -61.17 -27.26 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.04 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.595 ' HA ' HD11 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -51.72 -24.81 6.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.6 p -77.33 -42.06 38.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.636 HG21 ' HB3' ' A' ' 91' ' ' LYS . 21.0 m -62.51 -43.03 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.464 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -52.19 -27.02 13.06 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.418 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.63 -36.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.978 0.418 . . . . 0.0 110.141 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.26 -26.22 39.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.437 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.448 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 9.3 mm-40 -63.21 -67.91 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.884 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 64.2 p . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.363 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.464 ' CG ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.638 0.256 . . . . 0.0 111.267 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 m -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -107.02 -64.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 111.598 -179.084 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.75 HD21 HG12 ' A' ' 43' ' ' VAL . 31.6 mt -77.9 146.79 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.377 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.408 ' HB3' ' OD1' ' A' ' 10' ' ' ASP . 55.6 m -59.59 115.03 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.504 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.56 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.438 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.79 -45.47 64.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.4 m-20 -50.45 -52.1 41.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.667 ' HA ' HG23 ' A' ' 33' ' ' VAL . 13.8 mt -60.81 -53.99 41.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.483 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -61.66 -44.28 97.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 110.211 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 18.2 mtpp -65.11 -50.71 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.552 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . . . -65.68 -48.82 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.926 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 1.096 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.6 mt -54.0 -45.21 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.953 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.15 -4.71 59.77 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.539 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -64.84 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.142 0.471 . . . . 0.0 111.747 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.753 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 2.1 p90 -142.65 150.26 39.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 111.262 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -84.72 -26.54 27.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.605 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.753 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . . . -46.78 -26.7 1.01 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.723 0.297 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . . . -53.34 -57.95 8.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 110.227 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' CB ' ' HB2' ' A' ' 75' ' ' ARG . 16.4 m-20 -88.02 -17.11 31.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.406 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 40.5 t -89.24 -56.3 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -95.01 -65.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.411 ' OD2' ' CG2' ' A' ' 84' ' ' THR . 60.3 t0 -161.38 127.49 3.8 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 52.6 m-70 -71.77 -12.38 61.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.527 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HE2' ' N ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -47.64 -54.49 11.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 110.343 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.08 -47.57 85.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 28.0 t80 -51.69 -32.45 29.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.037 178.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.904 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.96 -29.47 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.674 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.0 mt-30 -84.08 -42.69 15.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.698 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.0 mtp -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.221 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.015 HG11 HD12 ' A' ' 35' ' ' LEU . 12.4 p -66.28 -24.72 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.91 19.84 35.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.822 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.015 HD12 HG11 ' A' ' 33' ' ' VAL . 1.5 mt -70.0 -32.44 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.2 mtpp -82.11 -15.26 54.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.403 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HD2' ' HG3' ' A' ' 38' ' ' LYS . 7.7 tmtm? -46.5 -37.34 7.73 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HG3' ' HD2' ' A' ' 37' ' ' LYS . 62.4 mttm -123.89 -175.23 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.236 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 m -70.74 172.24 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.753 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -66.74 -17.33 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 2.5 m-20 -74.67 -35.47 62.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' OD2' ' HD3' ' A' ' 38' ' ' LYS . 7.4 m-20 -67.69 -51.85 44.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.056 0.455 . . . . 0.0 109.78 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.75 HG12 HD21 ' A' ' 6' ' ' LEU . 29.9 m -60.16 -36.85 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 109.75 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 26.9 mtpt -50.81 -26.92 6.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.437 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -56.96 -48.62 77.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.732 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 43' ' ' VAL . 3.9 p -56.81 -27.36 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.486 ' CE1' HD11 ' A' ' 58' ' ' ILE . 15.3 t80 -46.4 -48.7 18.65 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.935 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 36.8 mm -60.95 -49.43 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.491 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 HD12 ' A' ' 58' ' ' ILE . 4.2 pp -84.71 -30.99 24.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.775 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.2 t70 -93.47 44.68 1.14 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 111.386 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 20.4 ptmt -70.41 -51.05 32.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.057 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.6 t70 -115.91 2.81 13.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.41 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 70.8 mmtt -68.69 -12.17 61.09 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 11.8 t 76.39 43.45 0.15 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . 79.62 -3.08 70.09 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.658 -0.782 . . . . 0.0 114.285 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 89.3 m-85 -151.66 143.47 23.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.285 0.543 . . . . 0.0 110.826 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -103.87 139.96 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.129 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' HG2' ' CE ' ' A' ' 96' ' ' LYS . 16.7 mt-10 -102.36 119.79 39.41 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.105 -178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.781 ' HB2' HG23 ' A' ' 82' ' ' THR . 2.1 pt-20 -37.71 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.42 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.58 -52.86 22.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.4 . . . . 0.0 110.93 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 65' ' ' SER . 8.5 tp10 -84.03 -16.27 44.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.056 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -50.45 -45.47 56.06 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.642 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.46 55.99 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.037 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 35.3 t -84.55 -59.47 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.732 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.542 HG22 ' HA ' ' A' ' 63' ' ' LEU . 10.4 tp -59.71 -16.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.659 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.705 ' CD2' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -45.36 -28.37 0.84 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.249 0.547 . . . . 0.0 110.8 178.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.48 -19.9 0.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.252 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.21 -53.76 7.59 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -97.52 -43.68 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.054 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.471 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 19.5 m -68.26 3.36 1.72 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 113.805 -1.543 . . . . 0.0 113.977 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.5 t -44.97 -25.16 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.619 -0.675 . . . . 0.0 111.024 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.04 35.39 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 109.996 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.096 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -141.54 -156.94 0.72 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.078 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 67.6 mtp180 -102.95 -88.05 0.41 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.506 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 2.7 p30 175.65 167.24 0.37 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.064 0.459 . . . . 0.0 112.135 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.705 HD23 ' CD2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -89.5 95.26 10.19 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.963 0.887 . . . . 0.0 109.938 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 42.0 t -68.88 -171.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.61 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -50.13 27.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' THR . 25.8 mtpp -49.81 -54.36 19.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.2 mp0 -69.36 -27.67 65.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.781 HG23 ' HB2' ' A' ' 60' ' ' GLU . 70.2 m -60.18 -52.41 65.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.946 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.5 mmmm -78.02 -31.02 50.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.245 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 62.5 m -88.17 -57.42 2.93 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -74.75 -50.47 17.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -176.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.685 ' SD ' HD22 ' A' ' 77' ' ' LEU . 1.6 mmm -74.27 -51.44 15.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.938 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.946 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -58.34 -31.97 68.08 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.38 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -78.66 -46.09 19.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.574 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -59.08 -35.07 82.33 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.288 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.4 p30 -94.49 38.64 1.1 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.905 -0.647 . . . . 0.0 109.375 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -28.32 -35.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.539 1.136 . . . . 0.0 113.835 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ASP . 6.5 m-20 -55.31 -19.81 9.69 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.729 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.93 51.1 3.69 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.199 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -113.43 -10.0 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.35 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.79 -4.28 45.68 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.551 -0.833 . . . . 0.0 114.003 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 58.0 mttt -132.76 142.96 49.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.616 0.246 . . . . 0.0 110.804 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.423 HD12 ' CE ' ' A' ' 86' ' ' MET . 20.4 mt -104.27 112.51 38.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.07 0.462 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.56 175.87 22.84 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.468 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 13.7 p -47.18 -37.05 4.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.43 -51.68 19.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.829 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 0.4 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.676 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.639 ' O ' HD12 ' A' ' 105' ' ' LEU . 13.9 t80 -52.31 -31.22 32.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.002 0.43 . . . . 0.0 110.13 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -79.19 -33.08 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.64 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.504 HG21 ' HB3' ' A' ' 91' ' ' LYS . 31.1 m -58.94 -45.63 89.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.434 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.47 -23.95 64.87 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.815 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.895 ' N ' HD13 ' A' ' 105' ' ' LEU . 46.8 t -63.65 -36.43 76.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.142 0.496 . . . . 0.0 109.967 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.96 -27.96 35.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.832 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.83 -67.08 0.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.323 0.582 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.485 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.359 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.834 ' SD ' HG23 ' A' ' 46' ' ' VAL . 24.7 mtm . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.462 0.172 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.1 p -83.74 -46.3 12.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -88.79 -33.91 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.567 HD13 ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -74.7 -57.66 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.408 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.494 HD11 ' HB ' ' A' ' 46' ' ' VAL . 33.4 mt -102.03 158.84 15.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.396 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -83.03 110.19 17.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.81 95.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.364 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 13' ' ' LYS . 7.9 tp10 -62.75 -32.09 73.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 1.9 m-20 -73.93 -50.36 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.875 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.487 HG12 ' CG2' ' A' ' 33' ' ' VAL . 56.2 mt -56.18 -38.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.775 0.321 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.34 -51.41 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' ALA . 42.5 mtpt -66.25 -49.54 66.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.342 0.591 . . . . 0.0 110.754 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -60.08 -45.79 91.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.314 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 70' ' ' PHE . 14.7 mt -68.85 -35.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.673 0.273 . . . . 0.0 111.734 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.78 -17.21 49.3 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.398 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -75.97 -27.15 57.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CG ' ' HB2' ' A' ' 22' ' ' ASP . 21.0 m-30 -104.97 75.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -92.38 -39.03 11.68 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.84 -61.74 1.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CE2' ' A' ' 24' ' ' PHE . . . -95.93 -68.02 0.82 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.534 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . 8.4 m-20 -55.57 -20.79 14.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 75' ' ' ARG . 32.1 t -42.61 -33.42 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.403 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 21' ' ' ALA . 26.4 p90 -94.67 -42.93 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.469 ' OD2' ' CE1' ' A' ' 24' ' ' PHE . 69.2 m-20 -66.22 82.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.267 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.674 ' HB2' HD13 ' A' ' 85' ' ' LEU . 96.4 m-70 -70.47 -23.48 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -47.73 -61.05 2.14 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.317 -0.239 . . . . 0.0 111.059 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 1.7 tpmt? -59.07 -44.74 91.9 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.766 ' O ' HG12 ' A' ' 33' ' ' VAL . 46.2 t80 -53.72 -36.63 62.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.779 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.905 ' CE1' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.62 -31.11 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.396 0.617 . . . . 0.0 109.907 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 19.0 mt-30 -84.16 -43.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mmm -72.25 -34.81 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.088 0.471 . . . . 0.0 111.644 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 29' ' ' PHE . 10.5 p -66.64 -24.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.097 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 96.7 10.82 55.01 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.147 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.74 HD12 HG11 ' A' ' 33' ' ' VAL . 2.7 mt -61.83 -34.16 75.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mtpp -86.82 9.77 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.617 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HG2' ' HG3' ' A' ' 38' ' ' LYS . 84.9 tttt -49.21 -69.98 0.1 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.51 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 56.8 mttt -101.36 -89.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -145.44 -177.75 5.72 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.858 0.361 . . . . 0.0 111.353 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.43 -18.5 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.928 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.62 -46.5 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 111.214 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -63.82 -52.81 58.48 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.71 HG12 HD23 ' A' ' 35' ' ' LEU . 31.5 m -55.45 -36.01 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -62.32 -33.12 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.567 ' CB ' HD13 ' A' ' 5' ' ' LEU . 13.3 mptt -68.5 -57.8 5.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.834 HG23 ' SD ' ' A' ' 2' ' ' MET . 4.7 p -52.08 -27.41 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.194 0.521 . . . . 0.0 110.025 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 5.3 t80 -59.41 -51.81 68.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.894 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' LYS . 89.3 m-70 -64.86 -35.61 81.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.538 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.449 HG21 ' CE ' ' A' ' 2' ' ' MET . 50.6 mm -51.68 -49.82 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.474 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.5 pp -83.13 -23.51 32.98 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.268 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.711 ' N ' HD12 ' A' ' 50' ' ' LEU . 4.8 t0 -158.46 78.98 0.8 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.677 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -73.59 -37.64 65.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.805 179.579 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.8 t70 -94.51 24.24 4.7 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.405 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB2' HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -57.85 -18.04 20.0 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.417 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m 70.68 24.85 4.22 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.749 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 100.38 -13.3 59.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.933 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.5 m-85 -161.7 139.15 8.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 117.464 0.632 . . . . 0.0 112.299 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.595 ' CG2' HD22 ' A' ' 63' ' ' LEU . 3.8 mt -104.56 146.79 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.776 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.38 122.67 42.82 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.975 0.893 . . . . 0.0 111.848 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 82' ' ' THR . 6.5 pt-20 -43.83 -30.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.586 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.485 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.3 m-20 -68.64 -51.38 42.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.683 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.31 -22.41 41.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -48.37 -48.36 36.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.29 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -57.31 -23.37 47.72 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.078 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.541 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 38.4 t -83.18 -62.76 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 50' ' ' LEU . 9.9 tp -56.1 -17.5 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.766 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -45.98 -48.03 16.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.57 -15.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.07 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.81 -50.73 25.63 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.66 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.766 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 3.8 p90 -97.9 -44.84 6.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 109.139 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' ALA . 88.8 p -72.07 2.3 5.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.331 -1.304 . . . . 0.0 113.241 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.3 p -45.77 -25.91 0.57 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.971 -0.455 . . . . 0.0 111.178 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.633 ' HB2' HG22 ' A' ' 15' ' ' ILE . 2.6 m-20 -92.18 -28.11 17.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 110.041 178.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -86.91 -150.89 0.16 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.144 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' CG ' ' OG ' ' A' ' 23' ' ' SER . 79.0 mtp180 -101.37 -85.98 0.42 Allowed 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -178.14 -171.35 0.27 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.311 0.577 . . . . 0.0 111.856 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.64 ' CD1' HD23 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -119.26 72.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.715 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.0 m -62.35 -174.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.6 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -47.28 27.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.688 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 84' ' ' THR . 65.3 mttm -49.65 -53.68 22.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 84' ' ' THR . 6.4 mm-40 -75.22 -27.23 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 60' ' ' GLU . 89.6 m -61.53 -50.26 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.9 mmpt? -77.3 -30.65 54.29 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.26 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.469 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 97.8 m -87.5 -56.77 3.21 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 26' ' ' HIS . 10.1 tp -79.93 -52.98 7.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.571 ' HE3' HD12 ' A' ' 97' ' ' ILE . 30.3 mmm -63.53 -51.16 66.67 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.219 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -52.95 -25.27 11.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 0.0 110.328 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.37 -63.19 1.43 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.475 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -50.64 -32.86 25.37 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.986 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.3 p30 -95.32 38.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.08 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' CB ' HG21 ' A' ' 104' ' ' THR . 37.2 tptt -28.63 -35.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.191 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -55.07 -19.82 8.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.702 0.287 . . . . 0.0 110.961 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.63 39.41 7.68 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.478 -0.391 . . . . 0.0 113.732 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 9.8 m-20 -100.88 -8.16 22.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.612 0.244 . . . . 0.0 111.122 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 65.83 25.42 71.84 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.874 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 35.5 mttp -155.01 142.77 19.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.571 HD12 ' HE3' ' A' ' 86' ' ' MET . 30.4 mt -117.21 136.37 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 111.525 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 102' ' ' PHE . . . -120.9 -155.74 9.63 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.44 HG13 ' OE1' ' A' ' 100' ' ' GLU . 8.8 p -68.54 -33.02 57.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 117.473 0.637 . . . . 0.0 110.965 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.44 ' OE1' HG13 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -74.38 -55.26 6.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.044 0.45 . . . . 0.0 111.521 -179.18 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -33.6 74.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.526 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t80 -52.72 -26.46 14.09 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.041 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.7 t -78.22 -41.66 33.71 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.43 HG21 ' CB ' ' A' ' 91' ' ' LYS . 61.8 m -56.98 -37.9 72.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.898 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.905 HD13 ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -61.42 -36.61 80.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.161 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 68.1 t -58.02 -33.28 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.053 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.5 -28.45 37.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.072 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HB2' HD23 ' A' ' 105' ' ' LEU . 7.1 mm-40 -65.69 -67.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.767 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.7 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.745 ' HB2' HG23 ' A' ' 46' ' ' VAL . 11.1 tpt . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.946 0.403 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -83.03 -16.38 47.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.679 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.36 -36.1 13.35 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.12 0.486 . . . . 0.0 110.8 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.536 HD13 ' HE1' ' A' ' 2' ' ' MET . 0.6 OUTLIER -81.77 -56.37 4.03 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.44 -178.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.526 HD12 ' CG ' ' A' ' 2' ' ' MET . 72.4 mt -74.09 152.4 39.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 p -50.02 110.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.38 84.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.04 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 10.4 pt-20 -68.18 -46.39 70.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.901 0.381 . . . . 0.0 110.586 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.9 m-20 -50.72 -53.77 28.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 0.0 111.637 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 33' ' ' VAL . 32.5 mt -62.77 -54.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.287 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.34 -47.05 87.7 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.228 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 21.9 mtpp -63.53 -52.55 60.7 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.676 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 10' ' ' ASP . . . -62.16 -44.28 96.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.492 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.725 HG21 ' HB3' ' A' ' 73' ' ' ASP . 7.7 mm -54.01 -51.17 48.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.037 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.02 -4.46 58.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.531 -0.842 . . . . 0.0 114.502 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -66.15 -52.53 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.526 0.663 . . . . 0.0 112.347 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.538 ' CD2' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -144.0 113.44 7.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.072 0.939 . . . . 0.0 113.031 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' HG2' ' A' ' 75' ' ' ARG . 88.2 m -73.21 -47.08 46.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.475 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.66 -34.93 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' CD2' ' A' ' 18' ' ' PHE . . . -64.96 -65.62 0.65 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.02 0.438 . . . . 0.0 110.41 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 3.8 m-20 -58.78 -28.6 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 2.8 t -73.25 -37.7 66.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.864 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -95.1 -65.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.327 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 45.7 t0 -142.2 121.67 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.367 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.666 ' HB2' HD22 ' A' ' 85' ' ' LEU . 57.4 m80 -70.26 -8.58 51.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.115 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' NZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -45.7 -60.82 2.0 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.507 0.67 . . . . 0.0 110.556 179.014 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -60.16 -48.74 80.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.805 -1.088 . . . . 0.0 110.188 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.802 ' O ' HG12 ' A' ' 33' ' ' VAL . 80.7 t80 -53.73 -38.74 64.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.085 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE1' HD13 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -52.92 -31.78 41.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 0.0 110.286 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 17.1 mt-30 -84.09 -42.69 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.7 mmm -72.3 -35.19 68.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 111.193 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 29' ' ' PHE . 7.3 p -65.64 -23.4 32.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.613 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.18 55.0 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.171 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.727 HD12 HG11 ' A' ' 33' ' ' VAL . 2.6 mt -64.59 -34.6 78.64 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.8 mtpp -78.83 -21.95 46.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.028 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.44 -56.13 12.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.304 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' HA ' ' A' ' 38' ' ' LYS . 9.8 mmpt? -91.42 166.63 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.619 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -68.65 158.29 34.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.682 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 103' ' ' SER . . . -53.12 -25.64 13.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.66 -41.68 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.456 ' HB3' HD22 ' A' ' 5' ' ' LEU . 2.6 m-20 -66.45 -53.45 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 46' ' ' VAL . 35.7 m -54.99 -39.48 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' N ' HG23 ' A' ' 43' ' ' VAL . 58.5 mttt -50.57 -31.68 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HD2' ' CD1' ' A' ' 5' ' ' LEU . 89.5 mttt -59.8 -49.86 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.646 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.745 HG23 ' HB2' ' A' ' 2' ' ' MET . 1.5 p -56.7 -27.35 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 23.8 t80 -53.58 -47.85 69.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.47 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . 28.0 t60 -71.99 -36.53 69.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.438 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 48.2 mm -51.57 -49.43 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HB2' HG13 ' A' ' 66' ' ' ILE . 3.9 pp -89.18 -35.07 16.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.171 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.486 ' CB ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -101.81 68.73 1.16 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.538 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -75.22 -45.16 42.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.953 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.441 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 21.9 t70 -114.9 22.31 13.56 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HB2' HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -49.7 -27.86 5.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.118 0.485 . . . . 0.0 110.432 179.457 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 15.8 m 77.42 38.93 0.2 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.036 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 93.24 -14.78 64.47 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.32 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 95.6 m-85 -164.36 145.13 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.191 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.639 HG21 HD13 ' A' ' 63' ' ' LEU . 2.3 mt -103.31 143.19 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' HG3' ' CE ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -100.58 118.7 37.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.605 0.717 . . . . 0.0 111.714 -177.133 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -39.44 -30.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.356 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.0 -51.57 66.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.96 0.409 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.82 -16.14 27.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.041 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.87 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -52.46 -40.26 62.07 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.478 0.656 . . . . 0.0 109.498 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -60.16 -16.73 42.66 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.347 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -87.67 -55.81 3.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.624 . . . . 0.0 109.734 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 50' ' ' LEU . 3.7 tp -65.88 -16.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 63' ' ' LEU . 1.2 mm? -59.82 -21.97 61.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.006 0.431 . . . . 0.0 110.909 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' SER . 45.7 mtpt -51.5 -19.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.848 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.27 -49.98 10.07 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.62 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 71' ' ' SER . 1.2 p90 -95.67 -45.21 7.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 109.576 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.593 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.3 p -70.21 2.96 3.16 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.222 -1.354 . . . . 0.0 114.29 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' LYS . 47.6 t -45.0 -24.41 0.22 Allowed 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.843 -0.536 . . . . 0.0 111.374 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.725 ' HB3' HG21 ' A' ' 15' ' ' ILE . 19.4 t70 -125.92 22.26 7.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.921 178.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -133.5 -136.42 0.17 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.641 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 71' ' ' SER . 18.6 mmm180 -108.94 165.4 11.61 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 121.114 0.483 . . . . 0.0 111.143 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' SER . 3.9 p30 -107.77 121.21 44.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.411 0.624 . . . . 0.0 112.203 -178.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.668 HD23 ' CB ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -41.54 93.93 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.532 177.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' THR . 15.4 m -98.17 -164.25 1.12 Allowed 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.994 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.82 -51.84 21.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -52.54 -54.4 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 111.023 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.668 ' CB ' HD23 ' A' ' 77' ' ' LEU . 1.5 mp0 -72.36 -24.43 61.28 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.846 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.554 HG23 ' HB2' ' A' ' 60' ' ' GLU . 28.7 m -62.81 -50.36 71.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 24.9 mmtt -76.71 -33.05 58.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.151 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 47.7 m -87.73 -57.56 2.9 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.666 HD22 ' HB2' ' A' ' 26' ' ' HIS . 20.2 tp -80.58 -52.77 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.641 ' HG2' HD21 ' A' ' 77' ' ' LEU . 2.9 mmt -63.02 -53.2 57.65 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.635 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.99 -23.83 48.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.558 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB1' ' NZ ' ' A' ' 27' ' ' LYS . . . -87.49 -58.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -47.22 -41.56 15.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.742 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 92' ' ' ASP . 4.1 p30 -92.77 39.69 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.548 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -31.05 -26.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' ASP . 4.5 p30 -55.17 -22.21 16.46 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.904 0.774 . . . . 0.0 109.388 177.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.14 47.71 3.77 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.825 -0.625 . . . . 0.0 114.089 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -113.59 -10.32 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.83 0.315 . . . . 0.0 111.244 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.13 -11.57 35.61 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.469 -0.872 . . . . 0.0 113.735 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 67.3 mttt -120.74 147.37 45.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.776 0.322 . . . . 0.0 111.048 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.444 HD13 HD13 ' A' ' 105' ' ' LEU . 17.1 mt -104.53 123.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.492 . . . . 0.0 110.695 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.8 161.38 12.73 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.428 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 13.1 p -47.68 -27.63 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.105 0.452 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.13 -53.81 10.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.73 -24.34 64.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.777 -179.217 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 105' ' ' LEU . 5.2 t80 -51.89 -23.41 4.84 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.768 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.62 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 59.5 p -78.46 -40.44 35.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.548 HG21 ' CG ' ' A' ' 91' ' ' LYS . 3.0 m -63.22 -27.09 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.76 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -61.38 -35.02 76.32 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.52 -32.08 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.241 0.544 . . . . 0.0 109.609 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.86 -24.77 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.228 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.85 -71.88 0.25 Allowed 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.718 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.411 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.516 ' HE1' ' HB3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.448 HG23 ' HB2' ' A' ' 8' ' ' ALA . 91.9 m -111.81 -46.26 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.203 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.1 -26.18 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -90.45 -30.62 17.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.033 HD21 HG12 ' A' ' 43' ' ' VAL . 60.5 mt -131.16 148.52 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.456 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -58.56 110.82 1.06 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.448 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.987 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.81 -41.75 87.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.988 0.423 . . . . 0.0 110.69 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 32' ' ' MET . 7.1 m-20 -55.96 -53.31 58.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.731 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.529 ' HA ' HG23 ' A' ' 33' ' ' VAL . 11.0 mt -59.61 -50.71 78.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -59.46 -46.9 87.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 35.7 mtpt -63.61 -50.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.64 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.504 ' HA ' ' CE1' ' A' ' 18' ' ' PHE . . . -64.68 -54.29 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.884 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 70' ' ' PHE . 7.3 mt -54.87 -35.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.228 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.04 -59.89 1.04 Allowed Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.449 -0.881 . . . . 0.0 114.16 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -38.41 -53.0 1.55 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 14' ' ' ALA . 37.7 p90 -136.25 112.49 9.8 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.026 0.441 . . . . 0.0 111.949 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -90.31 -27.6 19.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.385 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.41 -48.4 18.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.285 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASP . . . -53.06 -65.36 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.647 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' HA ' ' HB2' ' A' ' 26' ' ' HIS . 3.5 t70 -57.88 -32.78 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.259 0.552 . . . . 0.0 109.559 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.3 t -62.92 -49.93 72.85 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.882 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -96.78 -65.88 0.94 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.756 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 52.1 t0 -134.03 100.92 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 111.472 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' CD1' ' A' ' 29' ' ' PHE . 26.1 t-80 -70.61 -9.82 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.253 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 109' ' ' SER . 0.4 OUTLIER -45.06 -59.82 2.41 Favored 'General case' 0 C--N 1.338 0.073 0 O-C-N 121.916 -0.49 . . . . 0.0 110.915 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.52 -40.96 93.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 33' ' ' VAL . 4.6 t80 -57.62 -28.33 63.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.503 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.754 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -64.19 -30.17 71.25 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.281 0.562 . . . . 0.0 109.504 178.354 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 38.6 mt-30 -81.32 -40.67 23.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.332 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 38.3 mtp -72.73 -37.09 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.173 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.959 HG11 HD12 ' A' ' 35' ' ' LEU . 9.9 p -65.8 -24.8 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.152 0.501 . . . . 0.0 110.99 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.1 29.93 18.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.082 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.959 HD12 HG11 ' A' ' 33' ' ' VAL . 1.1 mt -72.29 -30.48 64.86 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.193 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -86.26 5.36 34.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.648 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -47.35 -42.37 21.38 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -128.05 -94.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.563 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -145.43 -179.33 6.58 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.842 0.353 . . . . 0.0 111.211 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.635 ' HB1' ' HE3' ' A' ' 44' ' ' LYS . . . -60.59 -30.0 69.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.36 -51.44 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' HA ' HD23 ' A' ' 5' ' ' LEU . 8.0 m-20 -62.56 -52.81 61.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.538 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.033 HG12 HD21 ' A' ' 6' ' ' LEU . 22.4 m -59.95 -38.23 75.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.951 0.405 . . . . 0.0 110.994 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.635 ' HE3' ' HB1' ' A' ' 40' ' ' ALA . 70.5 mttt -51.41 -29.4 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.151 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.516 ' HB3' ' HE1' ' A' ' 2' ' ' MET . 0.9 OUTLIER -57.34 -46.3 83.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.538 0.209 . . . . 0.0 111.079 -178.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.7 HG12 ' O ' ' A' ' 43' ' ' VAL . 7.3 p -54.28 -25.83 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.004 0.43 . . . . 0.0 110.071 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.9 t80 -46.67 -42.59 16.67 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.275 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -74.22 -35.97 63.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.434 HG13 ' SD ' ' A' ' 2' ' ' MET . 37.7 mm -59.88 -51.51 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.626 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' HD11 ' A' ' 66' ' ' ILE . 4.1 pp -78.13 -41.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.302 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.515 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.53 79.97 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.135 0.493 . . . . 0.0 110.472 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 40.2 pttt -46.78 -47.71 20.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.79 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 t70 -68.52 -15.24 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.3 tmtp? 43.98 33.9 0.84 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.508 0.671 . . . . 0.0 109.811 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -36.63 -27.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.516 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 103.72 -12.05 53.5 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.495 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 93.7 m-85 -158.79 127.56 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 0.0 110.287 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 66' ' ' ILE . 1.5 mt -103.77 144.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.549 ' C ' HD12 ' A' ' 63' ' ' LEU . 8.2 mt-10 -103.1 127.01 50.52 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.717 0.77 . . . . 0.0 112.447 -175.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.808 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.6 pt-20 -33.8 -35.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.21 -51.28 55.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.359 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.13 -24.81 23.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.181 0.515 . . . . 0.0 110.496 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.921 HD22 ' SD ' ' A' ' 86' ' ' MET . 2.0 mt -47.44 -52.66 16.31 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.92 -16.36 51.98 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -92.05 -54.35 3.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.444 0.64 . . . . 0.0 109.713 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 50' ' ' LEU . 9.7 tp -57.34 -23.69 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.891 HD23 ' O ' ' A' ' 63' ' ' LEU . 1.2 mm? -48.26 -26.24 1.89 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.251 0.548 . . . . 0.0 111.073 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 27.2 mttm -50.54 -20.98 1.32 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.03 -54.68 3.02 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.74 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.676 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -97.93 -44.43 6.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.191 0.52 . . . . 0.0 110.072 177.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 74' ' ' ALA . 10.4 p -69.55 -0.9 7.41 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.5 t -46.98 -25.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.972 0.351 . . . . 0.0 111.222 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 3.5 m-20 -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.728 0.299 . . . . 0.0 111.058 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -92.16 -89.01 0.19 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.272 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 74' ' ' ALA . 99.7 mtt180 -159.0 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.258 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.462 ' C ' HD22 ' A' ' 77' ' ' LEU . 1.2 p30 168.87 175.2 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.198 0.523 . . . . 0.0 111.557 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 85' ' ' LEU . 1.2 mm? -105.92 89.71 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.233 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' THR . 47.9 t -61.75 -175.67 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.558 0.218 . . . . 0.0 110.638 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.4 28.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.466 0.651 . . . . 0.0 110.384 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -50.7 -53.99 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.316 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -75.96 -25.42 55.85 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.009 -178.78 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.678 HG21 ' O ' ' A' ' 60' ' ' GLU . 87.1 m -64.33 -48.94 73.68 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.8 mmpt? -74.62 -29.42 61.27 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.64 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 67.5 m -87.14 -56.77 3.23 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.638 HD13 ' C ' ' A' ' 85' ' ' LEU . 3.0 tm? -81.21 -51.58 8.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.921 ' SD ' HD22 ' A' ' 63' ' ' LEU . 3.9 tpp -61.29 -50.73 71.8 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.99 -178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.16 -24.9 63.45 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.258 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -67.61 -61.23 1.99 Allowed 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.503 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -51.96 -26.96 20.19 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.342 -0.933 . . . . 0.0 110.906 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 93' ' ' GLY . 23.6 t70 -95.38 35.7 1.3 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 109.904 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.754 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.2 tmtt? -33.63 -54.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.183 -0.917 . . . . 0.0 112.954 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.71 36.93 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -136.08 -157.52 7.85 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.526 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.92 -1.04 13.93 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 136.29 -4.18 3.74 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 119.833 -1.175 . . . . 0.0 113.914 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 13.5 mmtp -102.2 140.05 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 86' ' ' MET . 19.2 mt -111.32 111.84 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.199 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.13 165.32 15.94 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.404 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 8.1 p -47.56 -33.86 3.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.169 0.485 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.98 -49.29 38.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.408 ' HG2' ' OD1' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -69.91 -26.92 64.39 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.396 -179.187 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -52.64 -25.8 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 0.0 110.007 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.5 t -72.9 -44.35 61.38 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.42 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.754 HG21 ' HB3' ' A' ' 91' ' ' LYS . 47.2 m -56.32 -35.01 67.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.0 tt -58.28 -39.9 80.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.216 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.3 t -54.77 -34.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.122 0.487 . . . . 0.0 109.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.62 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.298 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.12 -69.27 0.12 Allowed 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.849 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.182 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.759 ' HE1' HD23 ' A' ' 5' ' ' LEU . 3.4 tpt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.872 0.367 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.0 p -119.24 -42.43 2.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.603 ' C ' HD22 ' A' ' 5' ' ' LEU . 16.0 t70 -58.18 -19.57 34.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.759 HD23 ' HE1' ' A' ' 2' ' ' MET . 2.5 mm? -110.8 -54.23 2.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 11' ' ' ILE . 48.2 mt -91.97 146.95 23.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.523 ' O ' HD12 ' A' ' 11' ' ' ILE . 10.5 p -50.98 111.54 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.5 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.32 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 11.4 pt-20 -61.16 -43.55 98.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -60.17 -54.31 47.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 33' ' ' VAL . 8.1 mt -56.9 -53.22 45.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.662 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -52.08 -43.66 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.964 0.412 . . . . 0.0 110.683 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 29.6 mttm -73.86 -50.77 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.579 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.46 -37.73 87.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.474 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 1.004 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.9 mt -73.37 -36.4 48.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.822 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.45 -57.21 1.21 Allowed Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.636 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -39.76 -49.65 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 25.9 p90 -136.11 120.45 17.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.654 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 94.3 m -91.59 -37.45 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 23' ' ' SER . . . -46.93 -41.91 16.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . . . -49.26 -66.65 0.36 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.3 p-10 -69.47 -19.78 63.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.321 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.453 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 8.3 t -55.18 -65.17 0.63 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -96.86 -38.99 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.495 ' HA ' HD11 ' A' ' 85' ' ' LEU . 24.2 t70 -141.75 92.13 2.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.53 -8.1 38.41 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.954 178.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 24.4 mmmt -52.3 -54.67 28.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.874 0.369 . . . . 0.0 110.258 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.97 87.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.583 ' O ' HG12 ' A' ' 33' ' ' VAL . 10.2 t80 -49.77 -46.0 50.21 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.805 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CE2' HD13 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -49.96 -26.81 4.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.864 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 49.7 mt-30 -82.98 -49.41 9.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.159 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 2.5 mtt -72.14 -34.12 68.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.607 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.913 HG11 HD12 ' A' ' 35' ' ' LEU . 15.0 p -64.05 -25.21 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 90.96 26.6 21.55 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.733 -0.746 . . . . 0.0 114.21 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.913 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -71.95 -31.71 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.794 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -88.02 10.12 20.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.51 178.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 38' ' ' LYS . 47.5 tttp -46.33 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.341 0.203 0 CA-C-O 120.731 0.3 . . . . 0.0 111.204 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 19.8 mttt -81.03 -85.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.47 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -145.7 177.03 9.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.672 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -63.73 -35.66 81.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.423 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.418 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 10.3 m-20 -66.17 -51.07 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.513 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.884 ' O ' HG12 ' A' ' 46' ' ' VAL . 8.2 m -62.34 -35.53 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 110.315 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 0.9 OUTLIER -58.84 -29.93 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.34 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' CB ' ' HG ' ' A' ' 5' ' ' LEU . 4.4 mptp? -56.75 -38.91 73.08 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.884 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.7 p -57.57 -26.81 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 24.1 t80 -49.44 -36.61 22.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.54 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' CD2' ' CE ' ' A' ' 54' ' ' LYS . 12.0 t-160 -75.68 -31.33 59.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.304 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.6 mm -70.54 -52.95 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.366 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 51' ' ' ASP . 4.0 pp -82.16 -37.93 25.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.461 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -111.86 86.74 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.233 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.6 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.268 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.42 -20.62 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.65 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' CE ' ' CD2' ' A' ' 48' ' ' HIS . 55.4 mttt 41.88 42.36 2.21 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.527 0.68 . . . . 0.0 110.429 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -52.4 -18.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.764 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.56 -13.34 54.15 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.414 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 89.4 m-85 -161.59 127.9 3.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.957 0.408 . . . . 0.0 110.205 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.442 ' CG2' HD13 ' A' ' 63' ' ' LEU . 2.2 mt -103.16 144.35 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' HG2' ' CE ' ' A' ' 96' ' ' LYS . 14.7 mt-10 -98.7 122.41 41.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.145 0.974 . . . . 0.0 112.657 -175.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.824 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -38.41 -32.76 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.485 -1.689 . . . . 0.0 112.008 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 15.7 t70 -63.22 -51.2 67.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -88.0 -23.56 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.863 ' O ' HD23 ' A' ' 67' ' ' LEU . 4.0 tp -48.95 -50.43 35.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.989 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -55.23 -27.49 46.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -78.07 -58.22 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 0.0 110.058 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 63' ' ' LEU . 8.9 tp -59.4 -18.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.305 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -49.2 -25.9 2.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.068 0.461 . . . . 0.0 110.922 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' SER . 75.5 mttt -49.61 -20.54 0.8 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.596 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.61 -55.0 4.74 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.563 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.799 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.655 0.74 . . . . 0.0 109.551 177.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.488 ' HG ' ' C ' ' A' ' 67' ' ' LEU . 77.4 p -69.9 0.2 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.203 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.9 p -47.34 -26.76 1.37 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.919 -0.488 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.485 ' O ' HG22 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -116.98 25.42 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.458 178.655 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.004 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -119.87 -88.37 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.671 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 56.0 mtt180 -167.07 -88.31 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.146 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 4.6 p30 177.17 -175.86 0.14 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.549 HD21 ' HE3' ' A' ' 86' ' ' MET . 0.2 OUTLIER -127.87 81.2 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.869 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -71.81 -172.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.448 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.55 -48.21 27.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 80' ' ' LYS . 7.9 tmtt? -49.49 -53.71 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.632 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.664 ' HB3' HD23 ' A' ' 85' ' ' LEU . 39.9 mt-10 -75.75 -28.83 58.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.824 HG23 ' HB2' ' A' ' 60' ' ' GLU . 96.9 m -58.35 -50.28 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 29.9 mmmt -76.04 -31.0 58.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.121 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 62.7 m -87.69 -58.63 2.5 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 81' ' ' GLU . 1.6 mm? -83.16 -50.73 8.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.549 ' HE3' HD21 ' A' ' 77' ' ' LEU . 11.1 mmt -58.08 -50.8 72.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -54.37 -25.5 24.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.316 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -76.12 -63.09 1.4 Allowed 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.574 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -46.45 -37.99 8.92 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.8 p30 -91.74 38.29 0.98 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.818 -0.691 . . . . 0.0 109.791 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HB3' HG21 ' A' ' 104' ' ' THR . 2.1 tmtt? -29.31 -35.6 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.512 1.125 . . . . 0.0 113.62 -178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASP . 9.1 m-20 -55.92 -18.45 9.05 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.998 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.88 42.56 5.65 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.614 -0.327 . . . . 0.0 112.941 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -103.48 -4.55 23.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.6 0.238 . . . . 0.0 111.166 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 56.31 25.93 49.5 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.403 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 84.3 mttt -153.58 141.16 19.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.556 HG23 HD21 ' A' ' 105' ' ' LEU . 27.7 mt -107.21 112.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 111.881 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.98 170.06 13.99 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.415 ' CG2' ' HD3' ' A' ' 44' ' ' LYS . 10.7 p -47.6 -28.01 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 117.007 0.404 . . . . 0.0 111.033 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -54.93 6.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.348 0.594 . . . . 0.0 110.618 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -65.12 -26.81 68.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.848 -179.444 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.639 ' HD1' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -52.58 -24.44 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.982 0.42 . . . . 0.0 110.32 179.708 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.529 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 65.8 m -78.11 -38.97 42.8 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 91' ' ' LYS . 26.3 m -63.18 -43.79 97.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.79 -24.47 6.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.28 179.593 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.62 -36.96 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.017 0.437 . . . . 0.0 110.08 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.81 -30.19 40.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.161 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.461 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 10.2 mm-40 -55.82 -68.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.649 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.2 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.703 ' HB2' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.927 0.394 . . . . 0.0 111.059 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -105.64 -15.43 14.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.524 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.49 -44.06 58.73 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.166 0.507 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.426 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -87.42 -53.71 4.67 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.264 -178.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' CB ' HD11 ' A' ' 11' ' ' ILE . 91.0 mt -74.34 153.37 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.54 ' O ' HD12 ' A' ' 11' ' ' ILE . 6.1 p -55.31 110.77 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.24 87.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 12.7 pt-20 -63.9 -43.13 96.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.0 111.101 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 0.8 OUTLIER -62.13 -53.71 51.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.777 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.696 ' HA ' HG23 ' A' ' 33' ' ' VAL . 14.9 mt -56.44 -52.55 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.768 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -53.04 -44.68 67.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.698 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 54.0 mttt -73.72 -52.52 12.95 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.076 0.465 . . . . 0.0 111.472 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -59.92 -32.2 70.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.435 -178.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.629 HG23 ' HB2' ' A' ' 74' ' ' ALA . 5.7 mt -73.84 -46.71 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.833 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.77 -50.68 1.92 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.282 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -36.88 -55.41 0.9 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -131.65 62.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.548 0.689 . . . . 0.0 112.132 -178.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -42.28 -28.42 0.2 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HA ' ' CB ' ' A' ' 23' ' ' SER . . . -46.25 -40.71 11.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -54.55 -64.99 0.66 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.507 ' HA ' ' CG ' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -58.9 -24.01 61.81 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 1.1 t -67.55 -52.17 41.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.172 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.469 ' CD2' ' OD1' ' A' ' 25' ' ' ASP . 43.4 t80 -96.15 -64.23 1.07 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.615 ' HA ' HD21 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -138.7 112.76 8.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.632 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.613 ' N ' HD11 ' A' ' 85' ' ' LEU . 13.4 m-70 -67.68 -12.67 60.99 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 108' ' ' GLU . 12.8 mmmm -48.2 -55.59 10.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.914 0.388 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HE3' ' CA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -59.86 -49.16 78.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.684 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' O ' HG12 ' A' ' 33' ' ' VAL . 20.8 t80 -50.87 -34.68 29.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.648 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.674 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.24 -28.24 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.751 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 47.4 mt-30 -83.24 -47.74 11.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.039 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 2.2 mtt -72.31 -32.08 66.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 111.234 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' HA ' ' A' ' 11' ' ' ILE . 13.2 p -64.56 -24.07 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 85.04 26.74 36.14 Favored Glycine 0 N--CA 1.452 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.988 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.713 HD13 ' CG1' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -73.03 -29.98 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 109.927 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -87.64 -10.62 50.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.085 178.338 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -41.33 -70.1 0.12 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.623 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 5' ' ' LEU . 62.2 mttm -80.1 -98.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.409 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.8 p -146.73 161.2 41.1 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -51.75 -34.82 41.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 0.0 110.468 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.52 -45.59 77.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 5' ' ' LEU . 11.2 m-20 -54.01 -48.38 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.283 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.908 ' O ' HG12 ' A' ' 46' ' ' VAL . 3.4 m -71.15 -36.48 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.526 0.679 . . . . 0.0 109.726 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 99' ' ' VAL . 44.0 tttt -51.54 -32.75 29.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.521 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HG3' ' CD1' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.87 -47.18 87.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.147 -178.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.908 HG12 ' O ' ' A' ' 43' ' ' VAL . 8.7 p -55.68 -25.5 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.12 0.486 . . . . 0.0 110.008 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 35.3 t80 -45.61 -44.16 12.85 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.25 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -75.06 -36.18 61.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 46' ' ' VAL . 39.4 mm -52.88 -50.02 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.512 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 51' ' ' ASP . 4.1 pp -87.23 -37.04 17.61 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.491 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.451 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -119.67 65.95 0.81 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.965 0.412 . . . . 0.0 111.397 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -72.49 -55.27 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.87 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.6 m-20 -117.62 10.84 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 55' ' ' SER . 28.4 tptp -45.46 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.637 0.256 . . . . 0.0 111.416 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 31.4 p 173.03 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.172 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.85 -12.96 46.01 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.17 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.85 161.72 39.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.205 0.526 . . . . 0.0 110.189 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.477 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -105.54 142.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.022 179.156 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -100.42 118.08 35.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.776 0.798 . . . . 0.0 111.357 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.992 ' HB2' HG23 ' A' ' 82' ' ' THR . 5.3 pt-20 -36.79 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.666 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 10.6 m-20 -70.05 -52.35 24.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.131 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -85.65 -18.06 34.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.558 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.82 HD13 ' SD ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -50.86 -31.36 17.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.49 179.685 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.421 ' HA2' ' CB ' ' A' ' 77' ' ' LEU . . . -70.93 -26.86 73.2 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.598 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -81.06 -58.88 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' A' ' 50' ' ' LEU . 7.4 tp -59.65 -24.42 28.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.881 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -47.43 -32.31 4.94 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.333 0.587 . . . . 0.0 110.86 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' SER . 3.8 mtpm? -50.03 -21.34 1.2 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.614 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.99 -53.81 4.57 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.581 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.609 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -98.81 -45.32 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.234 0.54 . . . . 0.0 110.137 177.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ALA . 6.1 p -73.13 1.17 9.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.536 -177.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.91 -25.08 0.48 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.02 -0.425 . . . . 0.0 111.197 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.86 35.28 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -148.84 -90.1 0.08 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.693 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 74' ' ' ALA . 45.6 mtp180 -159.19 -168.19 2.27 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.613 0.244 . . . . 0.0 110.808 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -123.31 140.11 53.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.223 0.535 . . . . 0.0 111.948 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.692 HD23 ' HB2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -63.07 100.56 0.22 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.556 179.231 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -82.14 -176.55 6.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -47.7 -50.07 26.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.219 0.533 . . . . 0.0 110.799 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -50.02 -47.05 53.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.71 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.692 ' HB2' HD23 ' A' ' 77' ' ' LEU . 2.4 mm-40 -73.08 -35.09 66.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.362 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.992 HG23 ' HB2' ' A' ' 60' ' ' GLU . 2.1 m -53.76 -50.34 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -76.07 -28.6 57.67 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.272 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.462 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 76.8 m -88.01 -58.31 2.61 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.615 HD21 ' HA ' ' A' ' 25' ' ' ASP . 2.7 mm? -83.35 -51.16 7.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.82 ' SD ' HD13 ' A' ' 63' ' ' LEU . 10.2 mmt -61.64 -46.96 87.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.996 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.62 -25.85 54.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.143 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' LYS . . . -81.48 -63.37 1.41 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.549 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.463 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -49.92 -33.47 20.86 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 97' ' ' ILE . 18.1 t0 -96.29 37.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.605 -0.797 . . . . 0.0 109.322 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.605 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -30.62 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.281 1.032 . . . . 0.0 113.462 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.0 m-20 -55.83 -18.45 8.67 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.589 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.37 3.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.462 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.406 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 11.8 m-20 -113.81 -8.65 13.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 76.56 0.36 67.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.203 -0.999 . . . . 0.0 113.272 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 42.4 mttt -143.67 144.82 32.04 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.583 HD11 ' HA ' ' A' ' 86' ' ' MET . 44.3 mt -103.45 111.42 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.227 0.537 . . . . 0.0 111.614 -179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.63 168.38 33.13 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.428 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.689 HG22 ' HE2' ' A' ' 44' ' ' LYS . 8.1 p -48.41 -36.84 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.793 0.33 . . . . 0.0 111.239 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.475 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -73.36 -53.95 9.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.31 0.576 . . . . 0.0 110.676 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -33.46 66.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.745 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.476 ' HD2' HG23 ' A' ' 43' ' ' VAL . 13.4 t80 -52.34 -29.86 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.287 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.5 p -74.92 -39.13 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.992 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 91' ' ' LYS . 91.0 m -54.71 -37.44 65.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.979 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.674 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 1.5 tt -55.34 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.97 -35.37 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.896 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.32 -30.97 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.039 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.445 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 5.4 mm-40 -61.51 -66.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.309 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.437 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 11.4 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.971 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.776 ' HG2' HG23 ' A' ' 46' ' ' VAL . 15.9 mmt . . . . . 0 C--O 1.232 0.141 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -74.88 -28.36 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 0.0 111.573 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.38 -20.62 27.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.411 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 5' ' ' LEU . 4.7 mp -107.61 -69.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.774 ' CB ' HD11 ' A' ' 11' ' ' ILE . 24.2 mt -75.44 154.44 37.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.328 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 4.2 p -53.32 110.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.68 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 1.6 pm0 -70.27 -37.24 74.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.63 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD2' ' CB ' ' A' ' 7' ' ' SER . 62.5 m-20 -69.06 -52.98 22.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.166 0.507 . . . . 0.0 111.62 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.774 HD11 ' CB ' ' A' ' 6' ' ' LEU . 34.6 mt -55.56 -48.62 77.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.523 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 11.2 tmtt? -56.97 -50.61 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.73 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 9' ' ' GLU . 36.9 mttm -67.56 -50.67 57.39 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.69 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.94 82.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.755 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.593 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 9.4 mt -70.0 -37.48 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.697 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.54 -7.47 59.09 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.524 -0.845 . . . . 0.0 113.014 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.74 -13.95 23.75 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . 12.3 m-30 -106.56 100.05 9.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' SER . 84.1 m -91.96 -49.32 6.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.764 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -100.6 -56.51 2.32 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.507 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -40.77 -66.08 0.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 111.857 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 18' ' ' PHE . 19.6 t70 -65.35 -19.12 65.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.426 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -60.86 -46.86 88.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.041 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 17.2 p90 -95.99 -20.57 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 25.7 t70 -152.57 98.81 2.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.533 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -71.67 -20.2 61.98 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 178.43 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.533 ' CD ' HD12 ' A' ' 85' ' ' LEU . 13.3 mmmm -45.2 -50.28 11.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.92 0.39 . . . . 0.0 110.518 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -60.91 -46.61 89.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 3.6 t80 -57.4 -28.06 62.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.852 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -61.99 -31.1 71.43 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.36 0.6 . . . . 0.0 109.877 178.372 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.498 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 41.6 mt-30 -85.1 -41.17 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.119 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.8 -34.4 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.355 0.598 . . . . 0.0 110.756 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.878 HG11 HD12 ' A' ' 35' ' ' LEU . 9.8 p -66.39 -21.01 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.133 -0.939 . . . . 0.0 112.007 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 22.82 62.83 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.878 HD12 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -66.16 -32.55 74.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.6 mtpp -80.91 -12.97 59.31 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.457 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -42.94 -33.38 0.78 Allowed 'General case' 0 C--N 1.341 0.231 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -139.87 -178.85 5.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.05 165.88 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -63.58 -17.9 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.36 -47.86 82.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' HA ' HD23 ' A' ' 5' ' ' LEU . 9.4 m-20 -61.03 -52.53 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.572 ' CG1' HD23 ' A' ' 35' ' ' LEU . 30.1 m -59.29 -38.27 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.11 0.481 . . . . 0.0 110.699 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -51.66 -28.96 16.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.237 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HG2' HD21 ' A' ' 5' ' ' LEU . 14.0 mptt -60.1 -47.77 84.5 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' HG2' ' A' ' 2' ' ' MET . 0.5 OUTLIER -54.02 -32.22 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE1' ' CD1' ' A' ' 102' ' ' PHE . 1.9 t80 -58.56 -40.99 84.62 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.541 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 38.5 t60 -75.44 -38.53 59.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.505 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.437 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 41.7 mm -50.76 -49.61 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.618 0.723 . . . . 0.0 109.523 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.706 HD13 HG13 ' A' ' 66' ' ' ILE . 4.3 pp -82.88 -42.61 17.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.479 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.607 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -119.49 96.73 5.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.646 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 17.5 ptpt -57.9 -50.41 73.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.656 0.265 . . . . 0.0 111.422 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 13.0 t70 -100.54 -22.43 14.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.977 0.417 . . . . 0.0 110.629 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' PHE . 24.9 mttt 56.46 9.85 0.6 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.9 p 38.57 28.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.558 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.4 11.8 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-N 115.67 -0.695 . . . . 0.0 113.095 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -168.31 165.56 12.86 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.524 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 10.4 mt -106.51 143.76 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 121.14 40.84 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.906 0.86 . . . . 0.0 111.405 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -36.54 -33.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.954 -1.476 . . . . 0.0 112.35 -179.101 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.46 -51.99 44.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.967 0.413 . . . . 0.0 110.623 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.22 -21.5 36.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.074 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.834 ' O ' HD23 ' A' ' 67' ' ' LEU . 3.1 tp -48.35 -50.59 29.93 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 76' ' ' ASP . . . -59.48 -21.09 53.58 Favored Glycine 0 C--N 1.318 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.521 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.8 t -86.88 -57.69 2.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.219 0.533 . . . . 0.0 109.786 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.706 HG13 HD13 ' A' ' 50' ' ' LEU . 6.8 tp -60.5 -15.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.728 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.882 ' HG ' HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -48.8 -28.82 3.95 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.149 0.499 . . . . 0.0 110.642 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.2 mttp -50.08 -21.79 1.4 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.349 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.31 -54.89 3.79 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.171 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.786 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -97.9 -42.16 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.7 p -72.98 4.18 4.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.686 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 41.6 t -43.5 -25.23 0.14 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.317 0.508 . . . . 0.0 111.844 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.13 40.49 1.74 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.264 0.554 . . . . 0.0 110.342 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.507 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -157.68 -145.24 0.14 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 76' ' ' ASP . 82.3 mtp180 -107.11 -93.7 0.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.994 0.361 . . . . 0.0 111.403 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 2.4 p-10 169.19 174.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 111.206 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.882 HD13 ' HG ' ' A' ' 67' ' ' LEU . 4.8 mp -66.06 116.8 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.7 t -92.09 -174.68 3.84 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.9 -50.42 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 110.542 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.18 -49.36 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.398 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' LEU . 11.3 mt-10 -71.78 -31.26 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.401 -178.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.0 m -59.53 -50.66 73.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.586 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.6 mmpt? -76.08 -29.97 58.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.094 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 89.1 m -88.36 -58.35 2.59 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -177.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' CD ' ' A' ' 27' ' ' LYS . 4.7 tp -80.17 -50.37 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.476 ' HE3' ' HB3' ' A' ' 77' ' ' LEU . 26.4 mtt -63.99 -52.29 60.25 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.721 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -62.24 -41.08 98.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . -70.69 -47.66 58.75 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.67 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -47.23 -35.83 9.64 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.947 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 93' ' ' GLY . 3.0 p30 -95.77 38.39 1.17 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.587 ' HB2' HG21 ' A' ' 104' ' ' THR . 26.0 mmmt -34.26 -32.44 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.19 37.63 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -131.39 -165.46 11.44 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.979 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.26 18.81 17.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.518 0.199 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.419 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 104.53 41.71 1.98 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.568 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 45.6 mttp -150.77 140.96 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.882 0.372 . . . . 0.0 110.711 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.436 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 21.1 mt -106.9 111.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.985 0.422 . . . . 0.0 110.578 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.517 ' CA ' ' HA ' ' A' ' 57' ' ' PHE . . . -109.91 -154.56 14.94 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.059 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 100' ' ' GLU . 11.9 p -68.49 -43.38 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.2 0.5 . . . . 0.0 111.562 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.473 ' N ' HG13 ' A' ' 99' ' ' VAL . 11.6 pt-20 -72.0 -51.9 19.63 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.441 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 1.4 mp0 -57.84 -33.48 68.7 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.896 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.64 ' CD1' HD11 ' A' ' 105' ' ' LEU . 4.3 t80 -52.73 -23.38 6.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.304 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -74.57 -38.86 62.55 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.778 HG22 ' OE2' ' A' ' 108' ' ' GLU . 87.6 m -61.57 -42.96 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.907 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.67 HD22 ' HA3' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -58.61 -23.61 59.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.63 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.4 -34.9 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.57 -27.11 37.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.506 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.778 ' OE2' HG22 ' A' ' 104' ' ' THR . 31.7 mt-10 -64.0 -67.52 0.42 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.67 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.23 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.588 ' HG3' HG23 ' A' ' 46' ' ' VAL . 15.9 tmm? . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.86 0.362 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p -68.41 -27.5 66.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.46 -25.9 66.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 5' ' ' LEU . 4.8 mp -102.21 -60.86 1.47 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.708 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' CB ' HD11 ' A' ' 11' ' ' ILE . 37.4 mt -74.63 137.65 42.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.615 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 p -54.48 111.14 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.284 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.96 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.399 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.497 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 17.6 tt0 -66.79 -49.08 66.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.55 -53.79 49.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.476 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 33' ' ' VAL . 20.3 mt -56.57 -53.34 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.591 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -54.46 -42.61 70.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HD3' ' HG2' ' A' ' 9' ' ' GLU . 34.5 mtpt -71.22 -53.02 15.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.224 0.535 . . . . 0.0 111.24 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -62.42 -35.77 80.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.178 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 74' ' ' ALA . 6.5 mm -63.68 -55.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.42 -4.32 60.94 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -92.12 -7.84 47.38 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.181 0.991 . . . . 0.0 112.783 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 3.1 m-30 -115.35 111.01 20.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.1 p -91.88 -48.9 6.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.344 178.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -100.3 -50.63 3.88 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.054 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -38.02 -66.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 15.9 p-10 -71.06 -21.3 62.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -52.16 -44.92 64.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.921 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 35.3 p90 -95.53 -36.68 11.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 66.8 t0 -146.27 105.17 3.87 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.475 ' CD2' ' OE2' ' A' ' 81' ' ' GLU . 35.8 m-70 -71.74 -12.15 61.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.78 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 17.2 mtmm -47.5 -52.77 16.26 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.14 -0.35 . . . . 0.0 110.505 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.35 -44.71 92.64 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' O ' HG12 ' A' ' 33' ' ' VAL . 20.2 t80 -55.5 -31.67 62.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.287 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.39 -28.85 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.206 0.527 . . . . 0.0 110.071 178.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 22.0 mt-30 -84.28 -49.32 8.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.96 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.454 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 37.7 mtt -72.39 -27.74 62.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG11 HD12 ' A' ' 35' ' ' LEU . 13.8 p -67.04 -25.41 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.85 17.35 30.6 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.286 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.962 HD23 ' CG1' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -72.8 -32.06 65.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.261 0.553 . . . . 0.0 109.956 179.428 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.7 mtpp -87.18 10.91 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.942 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HG2' ' HG3' ' A' ' 38' ' ' LYS . 48.9 tttm -47.54 -65.83 0.5 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.505 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 32.4 mtmt -106.41 -90.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.447 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -143.29 -178.88 6.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 111.041 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -65.78 -20.12 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.295 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.21 -44.39 92.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 12.8 m-20 -67.37 -52.31 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.153 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.962 ' CG1' HD23 ' A' ' 35' ' ' LEU . 35.1 m -56.31 -35.55 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -49.53 -30.61 8.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.78 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 5.7 mptp? -59.77 -52.32 65.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.956 HG12 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -55.01 -26.7 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -60.67 -46.12 91.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.433 179.678 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' LYS . 85.7 m-70 -69.79 -41.52 74.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.365 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 45' ' ' LYS . 8.8 mm -52.58 -50.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 109.865 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -80.54 -37.79 30.85 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.327 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.463 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -120.05 61.77 0.85 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -71.57 -53.01 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 18.6 t70 -115.59 11.0 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -52.21 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.979 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m 171.28 36.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.773 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.25 10.14 39.83 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.439 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 4.7 p90 -164.58 144.28 7.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.577 ' CG2' HD22 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -103.74 143.57 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.442 0.639 . . . . 0.0 111.259 -178.209 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HG2' ' HG2' ' A' ' 96' ' ' LYS . 27.4 mt-10 -100.54 122.45 43.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.57 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.505 ' HB2' HG23 ' A' ' 82' ' ' THR . 4.3 pt-20 -42.96 -32.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.843 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 7.2 m-20 -70.49 -52.88 18.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.67 -18.11 58.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.994 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.805 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -47.13 -51.0 19.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.255 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.35 -28.06 42.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.884 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.9 m -81.09 -62.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 63' ' ' LEU . 4.7 tp -56.28 -17.15 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.328 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.32 -47.67 13.2 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.91 -13.11 0.09 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -178.256 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.14 -55.02 10.82 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 119.378 -1.391 . . . . 0.0 110.409 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.52 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 4.2 p90 -98.61 -39.36 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 122.152 0.977 . . . . 0.0 108.586 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 15' ' ' ILE . 18.7 t -73.79 2.33 8.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.484 -1.689 . . . . 0.0 113.057 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -45.79 -25.79 0.56 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.929 -0.482 . . . . 0.0 111.325 -179.032 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.592 ' HB2' HG21 ' A' ' 15' ' ' ILE . 5.0 m-20 -120.14 25.13 10.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.547 178.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -134.07 -155.46 0.66 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.438 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' NE ' ' OG ' ' A' ' 23' ' ' SER . 63.0 mtp85 -101.32 166.82 10.56 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.003 0.43 . . . . 0.0 111.398 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.3 161.53 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.367 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 67' ' ' LEU . 1.5 tp -77.02 124.51 27.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.67 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 47.9 t -103.13 -167.49 1.39 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.76 0.314 . . . . 0.0 110.37 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -51.31 -50.46 59.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.289 0.566 . . . . 0.0 110.761 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 84' ' ' THR . 99.1 mttt -60.61 -54.94 39.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.855 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.475 ' OE2' ' CD2' ' A' ' 26' ' ' HIS . 5.4 mt-10 -66.76 -35.16 79.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.65 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 60' ' ' GLU . 99.0 m -60.64 -49.38 77.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.965 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.3 mmmt -73.65 -25.32 60.22 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.93 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.577 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 88.5 m -86.05 -56.19 3.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.081 0.467 . . . . 0.0 112.086 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' A' ' 27' ' ' LYS . 4.2 mm? -72.42 -48.26 42.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.846 ' HE3' HD12 ' A' ' 97' ' ' ILE . 5.9 mmm -81.68 -50.69 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.55 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.965 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.69 -30.82 69.05 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.838 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 84' ' ' THR . . . -83.69 -56.09 3.91 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.158 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.53 ' HA3' HD11 ' A' ' 97' ' ' ILE . . . -56.36 -28.34 54.99 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.338 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 92' ' ' ASP . 36.0 t70 -96.07 38.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.336 . . . . 0.0 110.351 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.97 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -32.69 -25.83 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.548 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 12.1 t70 -58.06 -21.63 46.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.828 0.74 . . . . 0.0 109.978 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.15 53.75 7.52 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.862 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 18.6 t70 -113.27 -9.74 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.54 -18.03 56.03 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.209 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -123.1 143.14 50.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.414 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.846 HD12 ' HE3' ' A' ' 86' ' ' MET . 0.9 OUTLIER -102.78 111.58 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.094 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -101.96 -173.43 27.77 Favored Glycine 0 N--CA 1.44 -1.048 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.981 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.2 -31.47 42.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.42 -54.99 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.151 0.501 . . . . 0.0 111.255 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.452 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.76 -22.75 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.217 -179.295 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CD1' ' CE2' ' A' ' 47' ' ' PHE . 3.3 t80 -51.18 -50.5 58.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . 47.3 t -57.01 -29.85 63.68 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.97 HG21 ' CG ' ' A' ' 91' ' ' LYS . 13.5 m -70.19 -40.27 74.73 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.225 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.531 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -58.57 -38.26 77.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.2 -51.4 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.05 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.54 81.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.326 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.442 ' OE2' ' HB1' ' A' ' 88' ' ' ALA . 6.5 mm-40 -52.86 -68.55 0.16 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.314 0.578 . . . . 0.0 110.549 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 3.4 t . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.635 ' HE3' ' N ' ' A' ' 46' ' ' VAL . 12.9 tpp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.027 0.441 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.599 HG22 ' CB ' ' A' ' 8' ' ' ALA . 31.0 p -98.64 -30.43 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.338 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.43 -19.38 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.285 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.477 HD21 ' HG2' ' A' ' 45' ' ' LYS . 5.5 mp -119.2 -65.86 1.13 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 111.373 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.659 HD13 ' HG ' ' A' ' 35' ' ' LEU . 21.1 mt -74.27 144.47 44.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.7 p -51.7 110.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.599 ' CB ' HG22 ' A' ' 3' ' ' THR . . . -61.93 -43.59 98.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.478 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 14.8 tt0 -73.2 -50.15 24.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.792 0.33 . . . . 0.0 110.989 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.439 ' HB3' ' OG ' ' A' ' 7' ' ' SER . 10.8 t0 -49.83 -46.69 51.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.037 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.589 HG22 HD12 ' A' ' 15' ' ' ILE . 20.8 mt -56.78 -45.15 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.405 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.59 -42.62 97.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.897 0.38 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' CD ' ' HG2' ' A' ' 9' ' ' GLU . 1.8 mtpp -67.65 -50.54 57.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -67.45 -36.91 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.509 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.666 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 5.3 mt -67.51 -36.85 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.56 -4.97 63.58 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.1 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.06 32.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.045 0.423 . . . . 0.0 111.894 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CG ' ' HB2' ' A' ' 22' ' ' ASP . 12.8 m-85 -109.9 74.73 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.252 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -92.33 -36.6 13.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.33 -61.39 1.44 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.84 -67.87 0.83 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.492 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . 11.8 m-20 -56.93 -17.62 10.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.747 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -45.45 -25.99 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.667 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 25' ' ' ASP . 5.6 p90 -84.54 -47.5 10.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.472 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.543 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.1 p30 -78.81 85.97 4.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.65 0.262 . . . . 0.0 110.949 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -70.79 -14.34 62.38 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.505 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HG2' ' CA ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -57.44 -57.09 14.18 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.547 0.689 . . . . 0.0 110.361 179.389 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -38.32 68.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.685 -1.143 . . . . 0.0 107.939 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.684 ' O ' HG12 ' A' ' 33' ' ' VAL . 27.0 t80 -63.47 -37.07 85.89 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.55 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CE2' HD22 ' A' ' 35' ' ' LEU . 6.3 t80 -52.08 -27.42 13.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.233 0.539 . . . . 0.0 109.762 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.503 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 41.6 mt-30 -84.35 -54.37 4.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.486 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.416 ' C ' ' HB2' ' A' ' 14' ' ' ALA . 61.3 mtp -71.46 -20.39 62.09 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 29' ' ' PHE . 13.4 p -74.1 -24.65 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.117 0.484 . . . . 0.0 111.103 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.2 24.18 41.57 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.391 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.751 HD22 ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -74.33 -31.61 62.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.503 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -79.6 -8.61 59.3 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HD3' ' HG3' ' A' ' 38' ' ' LYS . 8.2 tmtm? -45.37 -27.6 0.71 Allowed 'General case' 0 C--N 1.345 0.388 0 CA-C-O 120.818 0.342 . . . . 0.0 110.995 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HG3' ' HD3' ' A' ' 37' ' ' LYS . 39.2 mtmt -143.22 -179.76 6.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.28 157.57 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.983 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.512 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.54 -20.74 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 9.7 m-20 -62.31 -34.66 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.092 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.97 -52.74 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 40' ' ' ALA . 29.1 m -57.3 -40.84 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.395 0.617 . . . . 0.0 110.32 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 43' ' ' VAL . 64.5 mttt -52.47 -27.34 15.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG2' HD21 ' A' ' 5' ' ' LEU . 14.1 mptt -56.89 -47.12 81.25 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.635 ' N ' ' HE3' ' A' ' 2' ' ' MET . 0.6 OUTLIER -58.24 -28.75 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.709 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 102' ' ' PHE . 9.3 t80 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.753 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.0 -37.96 89.34 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 45' ' ' LYS . 37.5 mm -55.52 -48.67 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.32 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 66' ' ' ILE . 5.3 mt -89.13 -24.09 22.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.338 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 1.8 m-20 -91.71 26.6 2.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 111.711 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -62.12 -41.04 97.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.47 -19.21 13.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 42.2 mmtm -62.79 -14.24 42.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.54 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m 69.85 22.89 5.78 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.28 -12.66 58.61 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.345 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD2' ' HA3' ' A' ' 98' ' ' GLY . 36.2 m-85 -144.49 132.77 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.16 0.505 . . . . 0.0 111.331 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.535 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 1.4 mp -103.97 144.0 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.674 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -99.98 137.78 37.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.858 -177.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.616 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -32.08 -38.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.873 0.733 . . . . 0.0 112.573 -177.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.69 -52.38 26.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.6 mm-40 -76.95 -17.68 58.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.395 178.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.674 HD23 ' C ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -50.4 -24.04 2.79 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.818 179.134 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.815 ' CA ' HD23 ' A' ' 77' ' ' LEU . . . -74.86 -20.17 79.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.702 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -86.52 -51.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.83 0.824 . . . . 0.0 108.794 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.7 HD13 HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -52.77 -41.0 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.0 179.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -50.18 -39.83 45.01 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 111.159 -179.651 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 38.5 mttp -50.01 -26.56 4.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.939 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.567 ' CA ' HD21 ' A' ' 50' ' ' LEU . . . -44.34 -48.38 8.45 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.657 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 49.8 p90 -95.19 -49.2 5.6 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.428 0.633 . . . . 0.0 109.481 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.506 ' HB3' ' CE2' ' A' ' 70' ' ' PHE . 60.2 p -69.83 -0.09 6.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.504 -1.226 . . . . 0.0 114.114 -177.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 30.1 t -46.49 -23.33 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.442 . . . . 0.0 111.55 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.14 29.78 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.522 0.201 . . . . 0.0 111.533 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.666 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . . . -154.87 -90.19 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -152.34 -174.34 4.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.661 0.267 . . . . 0.0 110.806 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -127.9 146.9 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 112.012 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.041 HD12 ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -35.82 135.45 0.3 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 178.383 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.6 m -113.15 -179.11 3.55 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.8 -50.42 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.285 0.564 . . . . 0.0 110.82 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 63.2 tttp -56.13 -54.08 49.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.18 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 1.041 ' HB2' HD12 ' A' ' 77' ' ' LEU . 31.3 mt-10 -59.49 -25.95 64.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.547 ' CA ' HD11 ' A' ' 77' ' ' LEU . 48.6 m -63.34 -51.65 65.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.0 mmpt? -77.6 -27.98 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.819 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 37.3 m -88.39 -59.49 2.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 26' ' ' HIS . 3.2 mm? -83.64 -52.17 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -177.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.644 ' SD ' HD12 ' A' ' 63' ' ' LEU . 5.2 mmt -61.09 -51.5 68.87 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.553 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.15 -23.77 62.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.671 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -77.41 -65.28 0.98 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.074 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.488 ' CA ' HD13 ' A' ' 105' ' ' LEU . . . -49.96 -28.65 12.67 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.076 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' ASP . 13.4 p30 -95.17 39.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.68 0.392 . . . . 0.0 110.326 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.827 ' HB2' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.6 -32.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -178.242 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 90' ' ' ASP . 22.2 t70 -55.96 -19.96 14.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.393 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.55 46.37 7.4 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.208 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -109.96 -7.87 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.634 0.254 . . . . 0.0 111.047 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.8 27.97 72.57 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.906 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 55.1 mttt -152.06 142.68 22.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.784 0.326 . . . . 0.0 110.645 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.433 HG22 ' CE1' ' A' ' 47' ' ' PHE . 27.6 mt -104.9 141.07 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.894 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.485 ' HA3' ' CD2' ' A' ' 57' ' ' PHE . . . -142.25 171.18 24.72 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.343 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.6 p -47.73 -36.81 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -54.32 8.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 110.65 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.431 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -63.94 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.031 -179.16 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 5.5 t80 -53.55 -26.12 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.072 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.9 t -68.76 -45.2 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.053 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.827 HG21 ' HB2' ' A' ' 91' ' ' LYS . 85.0 m -58.38 -42.9 88.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.501 HD21 ' CE1' ' A' ' 26' ' ' HIS . 27.9 tp -54.71 -29.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.102 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 102' ' ' PHE . 26.3 t -69.61 -41.76 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.038 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.04 -28.25 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.948 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 88' ' ' ALA . 35.3 mm-40 -50.83 -65.87 0.48 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.818 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.451 ' OG ' ' HG3' ' A' ' 31' ' ' GLN . 26.8 t . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.98 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 46' ' ' VAL . 35.5 ttp . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -73.36 -33.19 64.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.815 0.34 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -75.72 -25.08 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -106.42 -58.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 43' ' ' VAL . 16.1 mt -88.01 145.33 26.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 11' ' ' ILE . 6.4 p -60.87 110.39 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.249 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.18 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.06 -48.95 79.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.163 0.506 . . . . 0.0 111.314 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.409 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 1.7 m-20 -60.44 -52.13 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.241 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.562 HD11 ' CB ' ' A' ' 6' ' ' LEU . 19.2 mt -54.52 -53.44 31.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.456 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -55.84 -45.99 78.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 19.9 mtpp -67.94 -50.1 57.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.357 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -51.66 55.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.101 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 70' ' ' PHE . 9.0 mt -56.86 -45.62 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.93 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.45 -37.12 32.09 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.576 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -75.29 -4.86 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 11.0 m-30 -115.16 88.87 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' SER . 95.1 m -90.72 -45.31 8.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -97.57 -37.29 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.192 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HB3' ' CG ' ' A' ' 18' ' ' PHE . . . -47.74 -66.0 0.47 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.769 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' A' ' 18' ' ' PHE . 68.8 m-20 -58.12 -30.6 66.43 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.8 -32.26 73.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.361 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ALA . 64.2 t80 -95.26 -48.02 6.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.819 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 24.0 t70 -159.49 101.61 1.53 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 111.753 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -70.81 -18.44 62.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.652 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HB2' ' OD2' ' A' ' 25' ' ' ASP . 30.1 mmmt -49.0 -50.71 34.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 5.9 mmpt? -59.41 -45.74 90.67 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' ' 33' ' ' VAL . 24.1 t80 -56.43 -36.14 68.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.565 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' HE1' HG22 ' A' ' 106' ' ' VAL . 0.6 OUTLIER -52.73 -31.7 39.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.3 0.572 . . . . 0.0 109.528 178.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.4 mt-30 -84.66 -41.69 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.513 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.9 mmm -71.22 -35.8 71.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.392 0.615 . . . . 0.0 110.984 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.803 HG11 HD12 ' A' ' 35' ' ' LEU . 14.7 p -66.13 -21.99 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.895 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.64 20.17 54.73 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.856 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.803 HD12 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -67.6 -34.35 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.328 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.9 mtpp -78.78 -13.71 59.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.349 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 7' ' ' SER . 4.9 tmmt? -53.81 -22.84 10.41 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.69 0.281 . . . . 0.0 111.21 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -131.83 -174.34 3.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.012 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.5 p -87.27 171.91 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.629 ' HB1' ' NZ ' ' A' ' 44' ' ' LYS . . . -50.54 -48.36 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.454 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -53.04 -38.0 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -70.55 -52.73 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.743 ' CG1' HD23 ' A' ' 35' ' ' LEU . 16.1 m -59.96 -36.32 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 110.919 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.629 ' NZ ' ' HB1' ' A' ' 40' ' ' ALA . 45.8 mttp -49.94 -29.04 7.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.768 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 4.5 mptp? -57.53 -52.91 63.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.105 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 43' ' ' VAL . 4.3 p -61.82 -26.98 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.673 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 41.0 t80 -74.1 -38.05 63.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.439 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -67.27 -43.15 82.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 45' ' ' LYS . 5.3 mm -48.41 -49.07 13.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.404 0.621 . . . . 0.0 110.167 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.49 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.2 pp -86.82 -27.44 23.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.58 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.1 t70 -105.83 36.49 2.53 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 46.7 pttt -69.11 -49.17 59.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 111.568 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.556 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 22.0 t70 -115.87 20.01 14.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HG2' HG12 ' A' ' 58' ' ' ILE . 1.9 tppp? -80.68 3.64 21.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.716 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 9.0 t 82.1 4.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.59 -14.1 60.79 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.186 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 2.9 p90 -141.97 133.39 26.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 110.077 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 66' ' ' ILE . 2.9 mt -101.65 145.61 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.191 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.2 122.78 42.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.095 0.95 . . . . 0.0 111.7 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HB2' HG23 ' A' ' 82' ' ' THR . 3.1 pt-20 -36.82 -33.21 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.585 -1.643 . . . . 0.0 112.226 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 15.3 m-20 -70.95 -53.5 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 111.447 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -78.02 -19.99 53.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.143 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -47.5 -47.36 27.58 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.511 -179.568 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.424 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -52.1 -36.03 42.88 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.348 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -75.79 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.269 0.557 . . . . 0.0 110.057 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 58' ' ' ILE . 7.3 tp -61.45 -15.75 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -51.61 -25.53 7.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.971 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -48.82 -21.99 0.74 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.013 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.6 -54.4 6.6 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.273 -0.965 . . . . 0.0 111.186 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.62 ' O ' HD13 ' A' ' 15' ' ' ILE . 1.5 p90 -98.08 -43.74 6.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.571 0.701 . . . . 0.0 109.388 177.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' ALA . 96.0 p -70.95 2.07 4.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.776 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.7 p -45.76 -24.47 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.835 -0.541 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.547 ' HB2' HG22 ' A' ' 15' ' ' ILE . 3.9 m-20 -94.16 -27.25 16.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.598 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -93.94 -156.84 0.51 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.25 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -100.11 -84.31 0.42 Allowed 'General case' 0 C--O 1.231 0.101 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -175.78 -169.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.819 0.342 . . . . 0.0 111.113 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.578 HD23 HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -103.82 136.53 43.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 -179.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.5 m -106.78 -173.62 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.62 -50.83 31.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -51.12 -53.81 30.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -72.32 -25.63 61.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 60' ' ' GLU . 95.1 m -62.6 -49.81 73.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.9 mtpt -76.66 -29.0 56.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.19 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 42.9 m -88.7 -57.72 2.81 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 26' ' ' HIS . 34.6 tp -74.44 -48.88 24.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -176.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.483 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mmm -75.26 -53.62 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.027 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -64.35 -25.16 67.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.527 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -82.85 -39.82 21.13 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.342 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.724 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -69.07 -38.88 84.35 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.76 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.497 ' HA ' ' CG ' ' A' ' 101' ' ' GLU . 4.2 p30 -92.12 39.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.482 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.647 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -30.71 -28.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.362 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASP . 12.7 t70 -56.51 -21.05 23.41 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.776 -0.577 . . . . 0.0 109.617 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 10.19 63.45 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.782 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.45 -6.05 40.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.185 0.492 . . . . 0.0 110.966 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.46 24.86 68.07 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.165 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 50.1 mttp -145.18 139.34 27.16 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.067 0.46 . . . . 0.0 110.669 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.512 HD13 HD13 ' A' ' 105' ' ' LEU . 25.5 mt -106.78 112.06 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.292 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -110.88 170.3 13.81 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 178.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.473 ' N ' ' CE2' ' A' ' 47' ' ' PHE . 14.6 p -46.72 -29.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 117.104 0.452 . . . . 0.0 111.244 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.65 -51.99 17.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.275 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.497 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -73.04 -23.0 60.54 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 106' ' ' VAL . 1.9 t80 -52.1 -31.61 31.48 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.3 0.571 . . . . 0.0 109.857 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 93.0 p -71.08 -31.17 67.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.647 HG21 ' CG ' ' A' ' 91' ' ' LYS . 2.9 m -68.48 -48.48 64.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.749 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.724 HD22 ' HA3' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -59.62 -38.51 81.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.529 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 102' ' ' PHE . 87.2 t -54.1 -29.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.62 34.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.386 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -70.38 0.14 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.964 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.3 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.333 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.529 ' HB2' HG23 ' A' ' 46' ' ' VAL . 15.2 ttp . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.0 m -65.78 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.11 0.481 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.76 -25.7 21.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.483 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.473 ' CD1' ' CB ' ' A' ' 45' ' ' LYS . 23.3 mt -84.25 -64.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.586 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.835 ' CD2' HG12 ' A' ' 43' ' ' VAL . 62.7 mt -75.43 145.66 41.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.524 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.0 p -50.05 110.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.396 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.91 89.8 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 28.8 tt0 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.155 0.502 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -55.55 -54.54 42.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.124 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 6' ' ' LEU . 15.4 mt -57.01 -53.57 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.683 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -53.21 -50.78 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mtpm? -66.02 -51.77 55.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.382 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.179 0.514 . . . . 0.0 111.615 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 73' ' ' ASP . 5.4 mm -54.67 -51.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.26 -3.44 61.59 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.641 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -82.81 -29.09 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.719 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -117.08 120.48 38.46 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 0.0 112.144 -178.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 9.2 t -91.83 -34.22 14.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -97.97 -45.5 6.25 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.816 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' CB ' ' A' ' 18' ' ' PHE . . . -43.76 -66.79 0.34 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' OD2' ' CD2' ' A' ' 29' ' ' PHE . 4.4 t70 -61.97 -19.03 62.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.884 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -72.0 -56.21 6.06 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.631 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 42.0 p90 -95.77 -18.53 20.35 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.408 ' OD2' ' HD2' ' A' ' 28' ' ' LYS . 24.2 t0 -164.13 96.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.248 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -71.17 -20.24 62.31 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.63 179.154 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -45.49 -49.39 13.66 Favored 'General case' 0 C--N 1.34 0.194 0 O-C-N 121.87 -0.519 . . . . 0.0 110.378 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.63 -50.5 73.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 2.1 t80 -54.16 -28.64 41.52 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.414 178.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.901 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.45 -26.92 68.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.186 178.293 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.547 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 50.9 mt-30 -85.01 -42.51 14.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.491 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 5.1 mmt -69.51 -35.47 75.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.757 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.961 HG11 HD12 ' A' ' 35' ' ' LEU . 14.2 p -66.46 -20.42 27.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.697 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.39 31.97 44.4 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.597 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.961 HD12 HG11 ' A' ' 33' ' ' VAL . 3.5 mt -70.5 -27.34 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 0.0 109.932 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 1.1 mtmm -94.48 -4.96 47.19 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.261 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -43.41 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.344 0.333 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -75.22 -96.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.899 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.9 p -146.11 167.64 22.91 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.783 0.325 . . . . 0.0 110.682 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HB1' ' CB ' ' A' ' 103' ' ' SER . . . -61.56 -21.18 64.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 9.8 m-20 -71.17 -51.51 24.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.082 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -51.89 -46.04 64.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.214 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.835 HG12 ' CD2' ' A' ' 6' ' ' LEU . 21.5 m -71.09 -41.42 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.582 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' N ' HG23 ' A' ' 43' ' ' VAL . 10.5 ttpt -53.86 -28.41 35.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.619 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CB ' ' CD1' ' A' ' 5' ' ' LEU . 5.9 mptp? -58.15 -46.52 85.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.456 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 43' ' ' VAL . 3.7 p -52.92 -27.09 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.248 0.547 . . . . 0.0 109.83 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 34.4 t80 -46.42 -51.31 15.33 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.485 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -70.29 -30.97 68.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.071 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 38.9 mm -61.29 -48.74 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.89 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -87.33 -33.92 19.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.28 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.9 t70 -84.29 10.49 10.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HD2' ' HB2' ' A' ' 53' ' ' ASP . 3.6 pptp? -54.14 -39.19 66.27 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.166 -0.213 . . . . 0.0 111.447 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 22.7 t70 -115.14 26.0 10.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HE3' ' CG ' ' A' ' 62' ' ' GLU . 35.0 mmtm -105.18 1.71 28.51 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 21.0 t 73.71 13.96 4.26 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.26 -2.57 54.43 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.287 -0.959 . . . . 0.0 113.987 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 55.2 m-85 -145.64 141.87 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.295 0.547 . . . . 0.0 111.625 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -105.73 128.87 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.471 178.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' HG2' ' CD ' ' A' ' 96' ' ' LYS . 5.5 mt-10 -102.9 129.4 49.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.609 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.713 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -35.31 -37.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.936 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -51.55 53.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' CG ' ' HE3' ' A' ' 54' ' ' LYS . 7.1 tp10 -77.46 -20.98 53.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.617 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.681 HD12 HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -47.8 -48.03 30.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.945 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.61 77.53 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 22.6 t -77.71 -56.88 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.359 0.599 . . . . 0.0 109.926 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.499 HG21 ' CG2' ' A' ' 58' ' ' ILE . 5.5 tp -59.33 -20.43 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.741 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.777 HD11 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -47.12 -28.31 1.73 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.189 0.518 . . . . 0.0 111.413 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 65' ' ' SER . 47.6 mmtm -48.3 -20.61 0.41 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.339 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.1 -57.43 7.03 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.721 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.501 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 7.6 p90 -98.04 -36.45 10.11 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.851 0.834 . . . . 0.0 108.907 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.514 ' HA ' HD12 ' A' ' 15' ' ' ILE . 37.4 t -73.57 2.68 7.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 113.946 -1.479 . . . . 0.0 113.14 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 13.2 t -44.58 -25.34 0.26 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.046 -0.408 . . . . 0.0 111.879 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.709 ' HB2' HG21 ' A' ' 15' ' ' ILE . 5.4 m-20 -122.36 22.51 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.004 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.687 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -123.36 -157.28 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 19' ' ' THR . 11.1 mpt_? -94.46 -96.34 0.16 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 121.214 -0.195 . . . . 0.0 111.233 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.56 ' HA ' HD22 ' A' ' 67' ' ' LEU . 1.9 p-10 168.83 177.31 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.199 0.523 . . . . 0.0 111.877 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.777 HD22 HD11 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -88.25 115.41 25.73 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.215 179.251 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 m -92.79 -175.65 3.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.361 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.57 24.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.393 0.616 . . . . 0.0 110.481 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' THR . 60.2 tttp -56.89 -50.45 72.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.635 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.8 mm-40 -68.27 -31.89 71.67 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.74 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.713 HG22 ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -61.2 -49.96 75.06 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.214 -0.995 . . . . 0.0 108.738 178.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.904 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.3 mmmt -76.2 -27.11 56.74 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.788 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.478 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 85.1 m -88.61 -58.12 2.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.633 HD23 HD21 ' A' ' 77' ' ' LEU . 15.6 tp -80.98 -50.41 9.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.41 ' HG3' ' HA ' ' A' ' 60' ' ' GLU . 3.7 tmm? -67.24 -48.13 68.72 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.774 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.904 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -64.33 -38.41 90.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.615 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.498 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . -67.29 -66.45 0.56 Allowed 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.606 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -43.86 -32.04 2.11 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-O 121.768 0.649 . . . . 0.0 112.141 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' HA ' ' CD ' ' A' ' 101' ' ' GLU . 35.0 t70 -96.0 41.11 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.878 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.535 ' CE ' HG22 ' A' ' 104' ' ' THR . 1.6 mptp? -26.65 -41.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.483 0.713 . . . . 0.0 112.604 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.4 m-20 -54.01 -16.24 1.82 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.426 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 66.18 42.52 94.28 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.486 -0.388 . . . . 0.0 113.157 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.424 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 11.1 m-20 -96.84 -6.34 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.73 14.65 81.21 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.952 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -158.01 152.42 24.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.205 -179.002 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.4 mt -104.14 111.98 35.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.248 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.27 167.42 26.27 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.519 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.488 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -47.59 -38.42 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.832 0.316 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 101' ' ' GLU . 2.9 pp20? -71.73 -45.37 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.484 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.474 ' OE1' HG21 ' A' ' 104' ' ' THR . 2.8 mm-40 -75.01 -22.8 58.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.333 . . . . 0.0 111.214 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.485 ' O ' HD12 ' A' ' 105' ' ' LEU . 20.7 t80 -52.18 -36.53 52.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.187 0.518 . . . . 0.0 109.787 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.485 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . 15.4 m -78.08 -30.32 49.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.95 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.535 HG22 ' CE ' ' A' ' 91' ' ' LYS . 98.5 m -56.62 -47.66 79.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.179 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.77 -23.27 66.06 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.992 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.862 ' N ' HD13 ' A' ' 105' ' ' LEU . 86.2 t -57.75 -31.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.38 -31.85 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.181 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HG2' ' HE2' ' A' ' 91' ' ' LYS . 6.9 mm-40 -52.13 -72.24 0.06 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.668 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 26.8 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.493 ' HE1' ' C ' ' A' ' 45' ' ' LYS . 11.1 tpp -130.77 53.96 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.463 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.1 p -107.62 -27.41 10.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.47 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.67 -23.31 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.947 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 5' ' ' LEU . 1.4 mm? -107.84 -64.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.63 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.627 HD21 HG12 ' A' ' 43' ' ' VAL . 77.4 mt -78.78 142.13 37.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.458 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 p -53.53 110.39 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.79 84.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.594 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 24.5 tt0 -63.98 -50.03 70.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.191 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.24 -54.19 28.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.205 0.526 . . . . 0.0 111.758 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.584 ' HA ' HG23 ' A' ' 33' ' ' VAL . 23.2 mt -56.86 -33.22 40.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.987 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -69.97 -45.63 66.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 9' ' ' GLU . 1.3 mtpp -73.08 -52.2 15.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 111.044 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -56.0 -38.83 70.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.786 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 8.8 mt -74.19 -51.38 23.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.99 -4.86 81.56 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.694 -0.765 . . . . 0.0 114.719 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -91.57 -24.21 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.852 0.826 . . . . 0.0 111.995 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.27 105.29 12.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 111.776 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.523 HG23 ' N ' ' A' ' 20' ' ' ALA . 10.7 t -91.83 -47.74 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.522 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.523 ' N ' HG23 ' A' ' 19' ' ' THR . . . -99.18 -45.59 5.85 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 18' ' ' PHE . . . -48.38 -65.86 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -59.29 -29.06 67.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.448 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -54.45 -25.68 26.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.155 179.082 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -92.81 -52.88 4.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -145.11 106.93 4.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.778 ' HB2' HD22 ' A' ' 85' ' ' LEU . 2.3 m80 -70.6 -10.92 60.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.466 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HD3' ' HB1' ' A' ' 88' ' ' ALA . 5.6 mmmt -47.77 -53.6 14.85 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.024 0.44 . . . . 0.0 110.41 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 2.6 tpmt? -59.05 -44.11 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 14.3 t80 -57.78 -34.42 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.279 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE1' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -56.0 -28.87 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.004 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' HA ' ' HE2' ' A' ' 36' ' ' LYS . 44.3 mt-30 -84.19 -43.84 14.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.809 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.441 ' C ' ' HB2' ' A' ' 14' ' ' ALA . 19.2 mmt -71.71 -32.72 68.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.417 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.075 HG11 HD12 ' A' ' 35' ' ' LEU . 8.3 p -66.15 -25.26 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.33 21.6 34.55 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.012 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.075 HD12 HG11 ' A' ' 33' ' ' VAL . 2.7 mt -71.59 -28.97 64.19 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 31' ' ' GLN . 28.6 mtmt -82.99 -23.14 33.46 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -30.3 11.17 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 6.0 mmpt? -114.72 -171.68 1.98 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB2' ' OD2' ' A' ' 41' ' ' ASP . 70.3 m -95.32 176.06 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.709 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -55.56 -38.37 69.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 39' ' ' SER . 3.7 p30 -59.4 -49.9 76.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.026 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' HA ' ' HG3' ' A' ' 45' ' ' LYS . 15.3 m-20 -58.95 -52.34 66.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.882 0.372 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.627 HG12 HD21 ' A' ' 6' ' ' LEU . 27.8 m -60.79 -38.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.124 0.488 . . . . 0.0 110.361 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 19.2 tttm -59.75 -26.74 65.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.181 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' C ' ' HE1' ' A' ' 2' ' ' MET . 9.4 mttm -55.08 -33.35 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.803 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 43' ' ' VAL . 1.7 p -80.97 -28.5 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.9 t80 -57.54 -35.17 69.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.956 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -72.65 -29.32 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' ' HE3' ' A' ' 52' ' ' LYS . 42.1 mm -70.63 -47.55 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.192 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.9 pp -84.46 -42.39 15.65 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.308 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' N ' HD12 ' A' ' 50' ' ' LEU . 8.3 t70 -87.2 49.6 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 0.0 111.377 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -71.78 -51.68 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.134 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.9 t70 -115.6 22.93 12.75 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.937 ' HE2' HG23 ' A' ' 58' ' ' ILE . 23.7 mmmt -88.48 7.09 34.62 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.796 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.0 p 59.22 34.18 23.0 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 98' ' ' GLY . . . 97.45 -9.17 64.65 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.424 -0.894 . . . . 0.0 113.965 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' CE2' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -165.65 149.8 8.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.723 0.773 . . . . 0.0 112.335 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.937 HG23 ' HE2' ' A' ' 54' ' ' LYS . 2.2 mp -104.25 147.31 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.073 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' CG ' ' HD3' ' A' ' 96' ' ' LYS . 9.4 mt-10 -97.96 128.42 44.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.792 0.806 . . . . 0.0 111.426 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HB2' HG23 ' A' ' 82' ' ' THR . 3.6 pt-20 -33.77 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 113.933 -1.485 . . . . 0.0 112.258 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 20.9 m-20 -70.86 -51.87 23.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.056 0.455 . . . . 0.0 110.504 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -79.31 -18.11 53.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.503 179.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.905 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -49.44 -32.45 11.9 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 110.651 179.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.418 ' HA2' ' HB2' ' A' ' 77' ' ' LEU . . . -68.54 -20.39 73.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.075 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 37.8 t -86.1 -61.58 1.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.64 HG21 HG21 ' A' ' 58' ' ' ILE . 9.2 tp -51.34 -24.07 3.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.905 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -45.42 -51.25 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.71 -15.34 0.17 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.35 -52.36 13.83 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.854 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.529 ' O ' HD13 ' A' ' 15' ' ' ILE . 3.0 p90 -98.09 -43.6 6.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.714 0.769 . . . . 0.0 109.374 177.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' ALA . 2.4 m -73.56 2.39 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.335 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.51 -24.24 0.3 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.914 -0.491 . . . . 0.0 111.715 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.7 -24.03 20.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.843 0.354 . . . . 0.0 111.154 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -110.6 -161.13 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.456 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -79.35 -173.51 3.72 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.284 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.31 -179.93 3.81 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.644 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.776 HD11 HD23 ' A' ' 85' ' ' LEU . 4.3 tp -72.41 108.88 5.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.733 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.9 m -94.96 -175.34 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.95 -49.47 30.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 110.5 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 84' ' ' THR . 95.7 mttt -56.07 -53.66 54.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.009 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 85' ' ' LEU . 26.9 mt-10 -69.13 -37.61 78.42 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 60' ' ' GLU . 88.5 m -54.54 -50.0 68.93 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.369 -0.933 . . . . 0.0 108.52 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.858 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -77.15 -31.92 55.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.461 177.599 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.7 m -88.21 -58.14 2.67 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.778 HD22 ' HB2' ' A' ' 26' ' ' HIS . 52.1 tp -77.91 -48.98 15.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.464 ' HE3' ' O ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -66.12 -52.11 51.64 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.596 -179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -61.19 -29.62 69.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.042 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.71 -64.59 1.12 Allowed 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.415 178.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.46 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -45.17 -43.62 9.33 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.676 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 7.0 p-10 -82.41 39.44 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.746 0.419 . . . . 0.0 111.332 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 1.9 tmtp? -28.75 -36.54 0.01 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASP . 5.9 m-20 -55.79 -18.05 7.57 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.07 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.07 52.3 8.02 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.591 -0.337 . . . . 0.0 112.899 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.2 1.27 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.343 0.127 . . . . 0.0 111.343 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.96 10.58 56.43 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.011 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 64.5 mttt -151.23 164.24 37.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.641 -0.28 . . . . 0.0 110.774 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.422 HG23 HD21 ' A' ' 105' ' ' LEU . 31.0 mt -126.03 117.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.645 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -118.27 -177.34 17.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.42 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.64 -33.71 11.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.898 0.38 . . . . 0.0 111.259 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.69 -51.24 23.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.261 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.424 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 43.1 mt-10 -73.32 -30.84 63.64 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.559 ' HA ' HD11 ' A' ' 105' ' ' LEU . 3.1 t80 -52.56 -25.53 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.469 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -78.43 -38.9 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 91' ' ' LYS . 1.8 m -62.36 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.56 -27.3 10.53 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.053 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.8 t -68.7 -34.43 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.915 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.58 -26.92 37.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.75 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -58.6 -79.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.228 179.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 20.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.951 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.802 0.334 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.584 ' HB2' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER 53.88 57.12 6.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -96.8 -27.9 14.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.276 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.57 -27.59 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.448 HD12 ' CE ' ' A' ' 2' ' ' MET . 1.4 mt -102.69 -46.22 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.902 ' CD2' HG12 ' A' ' 43' ' ' VAL . 28.3 mt -86.55 143.04 27.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.269 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -53.98 110.87 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.49 80.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.737 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 12.8 pt-20 -70.26 -48.24 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.272 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 1.3 m-20 -54.67 -52.65 61.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.43 0.633 . . . . 0.0 111.239 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.701 HG22 HD12 ' A' ' 15' ' ' ILE . 9.2 mt -56.33 -53.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.229 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -63.14 -32.95 74.46 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.524 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mtpt -67.28 -53.78 26.73 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -45.48 63.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.916 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.701 HD12 HG22 ' A' ' 11' ' ' ILE . 7.8 mt -57.67 -48.37 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.802 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.14 -19.59 69.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.761 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.28 -4.85 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -119.18 96.18 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.7 p -91.44 -48.66 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 177.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -99.76 -43.88 6.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.17 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . . . -39.26 -67.4 0.22 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.647 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -72.28 -21.83 61.3 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.083 0.468 . . . . 0.0 109.959 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.503 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.2 t -50.66 -44.93 57.74 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.85 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 5.7 p90 -96.06 -32.03 12.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.069 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -147.94 95.72 2.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.566 ' ND1' ' CD2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -70.92 -19.13 62.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.223 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HD3' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -45.7 -53.5 9.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.937 0.399 . . . . 0.0 110.766 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -60.04 -43.21 95.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 1.8 t80 -59.7 -27.57 66.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.668 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -63.11 -26.89 69.04 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.228 0.537 . . . . 0.0 109.848 177.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.52 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.7 mt-30 -85.45 -45.63 11.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.804 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 18.2 mmt -72.23 -26.49 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.508 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.56 ' HB ' ' CE1' ' A' ' 29' ' ' PHE . 12.1 p -67.67 -24.53 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 111.801 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.57 21.37 40.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.455 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.87 HD22 HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -73.98 -36.95 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.651 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.8 mtpp -75.4 -23.14 57.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.748 178.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -43.26 -41.82 4.1 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.338 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 5' ' ' LEU . 11.0 ttmt -101.32 -144.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.865 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.685 ' O ' HG22 ' A' ' 43' ' ' VAL . 64.8 m -118.79 160.93 20.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.508 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -50.67 -27.56 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -68.53 -56.74 7.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 7.8 m-20 -60.53 -48.48 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 111.035 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.902 HG12 ' CD2' ' A' ' 6' ' ' LEU . 16.9 m -61.79 -36.89 76.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 109.78 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 28.2 mttt -54.57 -29.32 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.307 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB2' HD13 ' A' ' 5' ' ' LEU . 18.3 mmtp -55.73 -41.66 74.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.028 -177.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.9 p -57.3 -26.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.473 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 23.6 t80 -49.46 -45.01 46.16 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -69.19 -29.44 67.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 0.0 109.78 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.5 mm -69.53 -50.71 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.748 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -86.61 -30.67 21.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.533 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HA ' ' CG ' ' A' ' 54' ' ' LYS . 11.0 t70 -95.25 44.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 21.4 ptmt -70.23 -49.09 53.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.645 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 4.9 p-10 -113.5 -2.98 13.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.867 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 39.1 mmtm -59.47 -16.35 23.49 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.139 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 14.4 t 77.64 34.92 0.33 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.767 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.85 -9.21 57.35 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.464 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 86.6 m-85 -134.87 135.5 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.004 0.402 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.567 ' CG2' HD22 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -104.56 120.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.163 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.9 mt-10 -103.46 133.12 49.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.808 -177.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -34.46 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.556 -1.202 . . . . 0.0 112.599 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' GLU . 7.1 m-20 -65.36 -51.34 61.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -88.11 -21.34 24.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.232 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.8 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.9 -48.46 60.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.907 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.848 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -66.06 -26.39 72.38 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.865 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 34.2 t -80.88 -60.42 2.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.339 0.59 . . . . 0.0 109.425 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.475 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.8 tp -51.5 -22.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.174 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -46.15 -49.67 16.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.6 -13.02 0.11 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.13 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.05 21.04 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 119.534 -1.317 . . . . 0.0 110.484 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.537 ' CE2' HD13 ' A' ' 67' ' ' LEU . 1.1 p90 -98.15 -46.02 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.77 0.795 . . . . 0.0 109.229 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.4 m -71.02 2.13 4.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.065 -1.425 . . . . 0.0 113.696 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.3 p -44.93 -25.52 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.403 0.547 . . . . 0.0 111.582 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.4 m-20 -103.63 34.62 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.597 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -171.69 -158.88 0.14 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.332 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 71' ' ' SER . 31.5 mmt180 -84.4 -172.45 4.17 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.869 0.366 . . . . 0.0 111.467 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -119.55 -163.39 0.98 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.848 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -96.36 127.16 42.11 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 82' ' ' THR . 46.7 t -105.85 -169.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.0 111.045 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -48.73 -51.14 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' THR . 97.9 mttt -55.72 -44.24 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.795 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.3 mt-10 -75.24 -27.22 59.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 86' ' ' MET . 96.0 m -63.57 -48.94 75.4 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.834 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.2 mmmm -75.89 -32.57 59.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.832 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.553 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 91.3 m -87.95 -57.6 2.88 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.517 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 9.4 tp -78.26 -50.72 11.33 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.545 ' HA ' HD11 ' A' ' 97' ' ' ILE . 7.0 ttp -65.81 -47.98 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.108 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -67.23 -36.96 82.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.97 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -59.39 -61.14 2.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.589 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.458 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -55.78 -42.45 85.61 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.477 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.467 ' HA ' ' CG ' ' A' ' 101' ' ' GLU . 25.3 t70 -96.32 38.63 1.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.436 -0.382 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.851 ' CD ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -31.56 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ASP . 17.1 m-20 -57.83 -18.81 24.52 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.266 0.485 . . . . 0.0 111.097 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.5 64.13 2.33 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.571 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.34 -7.56 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.427 ' O ' ' CE ' ' A' ' 86' ' ' MET . . . 87.33 -7.7 79.76 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.111 -1.042 . . . . 0.0 112.9 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -146.86 154.81 41.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.565 0.346 . . . . 0.0 110.274 -179.609 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.545 HD11 ' HA ' ' A' ' 86' ' ' MET . 57.2 mt -104.13 112.27 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.514 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 102' ' ' PHE . . . -88.67 -176.4 46.97 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.755 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.473 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 12.6 p -65.68 -31.69 54.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.634 0.254 . . . . 0.0 111.367 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -72.42 -54.05 10.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.458 0.647 . . . . 0.0 110.578 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.16 -26.73 65.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.34 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 98' ' ' GLY . 24.1 t80 -52.57 -28.66 21.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.01 0.434 . . . . 0.0 109.906 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.431 ' OG ' ' CB ' ' A' ' 40' ' ' ALA . 43.8 t -77.1 -36.46 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.086 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.851 HG21 ' CD ' ' A' ' 91' ' ' LYS . 70.5 m -60.45 -32.76 71.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.756 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.629 HD13 ' CE2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -58.21 -35.08 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.796 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.53 -35.26 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.46 . . . . 0.0 110.086 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.7 -26.76 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.536 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.36 -69.24 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.211 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.0 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.733 0.302 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.579 ' CE ' HD13 ' A' ' 5' ' ' LEU . 5.5 mmt -55.62 121.25 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.2 p -127.95 -40.61 1.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.373 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -84.87 -23.8 28.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 5' ' ' LEU . 2.9 mp -100.25 -70.18 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.844 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.806 HD21 HG12 ' A' ' 43' ' ' VAL . 63.1 mt -75.82 147.01 39.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.254 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.593 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.35 109.32 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.844 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.01 89.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.175 0.512 . . . . 0.0 110.875 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HG3' ' HE3' ' A' ' 13' ' ' LYS . 25.6 tt0 -57.51 -41.51 80.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 1.5 m-20 -69.78 -52.27 26.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.435 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 7' ' ' SER . 7.4 mt -53.97 -34.73 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.374 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -70.09 -51.47 31.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.812 0.339 . . . . 0.0 110.617 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HE3' ' HG3' ' A' ' 9' ' ' GLU . 31.8 mttt -69.46 -52.23 28.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.319 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.49 68.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.736 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.568 HD13 ' O ' ' A' ' 70' ' ' PHE . 12.0 mt -66.94 -50.92 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.231 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.68 -4.47 72.91 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.603 -0.808 . . . . 0.0 114.111 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -81.43 -48.84 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.362 0.581 . . . . 0.0 111.891 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.541 ' CD2' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -136.68 63.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 112.032 -179.229 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 74' ' ' ALA . 68.4 p -50.49 -47.42 57.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.265 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -45.72 -51.65 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.331 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 18' ' ' PHE . . . -51.45 -49.27 62.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.293 0.568 . . . . 0.0 109.883 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -66.16 -32.75 74.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.884 178.232 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.4 t -56.93 -54.26 48.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 25.4 p90 -96.2 -8.92 31.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.442 ' CA ' ' OE2' ' A' ' 81' ' ' GLU . 2.3 m-20 -170.35 92.74 0.2 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.536 ' H ' HD21 ' A' ' 85' ' ' LEU . 67.9 m-70 -70.16 -14.57 62.7 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.568 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -49.7 -52.0 34.39 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.702 0.287 . . . . 0.0 110.577 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -59.29 -47.17 86.38 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.694 ' O ' HG12 ' A' ' 33' ' ' VAL . 36.0 t80 -54.76 -36.2 64.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.426 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.736 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -52.65 -32.24 41.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.264 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.1 mt-30 -83.77 -45.42 13.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.047 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.453 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -72.39 -34.38 67.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.254 0.549 . . . . 0.0 110.847 -179.676 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.708 HG11 HD12 ' A' ' 35' ' ' LEU . 14.5 p -64.65 -21.21 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.698 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.67 58.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.772 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.708 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -63.66 -33.6 75.99 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.217 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 5.7 mtpp -81.94 -23.13 36.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.584 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 37' ' ' LYS . 2.8 tmtp? -48.44 -42.46 32.46 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.135 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 42' ' ' ASP . 10.0 mmpt? -101.33 -179.86 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.899 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -86.99 162.57 17.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.279 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -50.49 -30.39 12.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.794 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 8.3 m-20 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' CB ' ' HB3' ' A' ' 38' ' ' LYS . 8.1 m-20 -62.37 -52.92 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.806 HG12 HD21 ' A' ' 6' ' ' LEU . 35.9 m -57.7 -38.49 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.172 0.51 . . . . 0.0 110.622 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 72.8 mttt -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.466 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 1.2 mptm? -58.77 -53.12 61.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.108 0.48 . . . . 0.0 110.126 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 43' ' ' VAL . 2.3 p -51.7 -25.83 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.979 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.515 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 36.4 t80 -51.84 -61.74 2.07 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.455 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -64.72 -33.04 75.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.7 mt -53.49 -49.04 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.612 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.567 HD11 ' OD2' ' A' ' 51' ' ' ASP . 3.9 pp -87.88 -30.14 20.36 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.921 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.567 ' OD2' HD11 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -120.13 58.93 0.9 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.177 -0.327 . . . . 0.0 110.987 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -35.1 70.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.587 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -114.13 26.06 10.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.761 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 71.4 mmtt -97.36 -3.11 40.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 10.9 t 76.19 11.65 2.86 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.15 16.3 35.72 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.378 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -155.67 135.13 12.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.589 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.591 ' CG2' HD22 ' A' ' 63' ' ' LEU . 3.4 mt -104.91 138.11 31.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.355 0.598 . . . . 0.0 110.885 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 62' ' ' GLU . 3.4 mm-40 -105.65 129.0 53.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.241 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -34.92 -32.71 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.471 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.7 m-20 -66.56 -50.46 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 109.997 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 15.8 mm-40 -85.68 -19.55 30.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.526 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.591 HD22 ' CG2' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -52.3 -53.5 43.37 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.037 0.446 . . . . 0.0 110.42 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.769 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -60.88 -21.3 58.5 Favored Glycine 0 C--N 1.318 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.171 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.539 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.3 m -82.78 -61.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.482 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 5.5 tp -54.26 -18.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.438 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -44.13 -49.08 9.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.267 179.126 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.1 OUTLIER -51.36 -16.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.62 -49.63 15.81 Favored Glycine 0 C--N 1.341 0.812 0 C-N-CA 119.784 -1.198 . . . . 0.0 110.331 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.568 ' O ' HD13 ' A' ' 15' ' ' ILE . 9.8 p90 -96.77 -51.07 4.43 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 78.7 p -67.63 2.96 1.56 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 113.985 -1.461 . . . . 0.0 114.478 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.3 p -44.83 -24.57 0.22 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.728 0.695 . . . . 0.0 111.504 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.26 -26.02 16.11 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.846 0.355 . . . . 0.0 110.639 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' CB ' HG23 ' A' ' 15' ' ' ILE . . . -108.33 -166.97 1.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.041 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' SER . 99.5 mtt180 -83.95 -179.98 7.4 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.004 0.431 . . . . 0.0 111.736 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 67' ' ' LEU . 8.7 m-20 -93.02 -170.22 2.36 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.403 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.769 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.2 OUTLIER -93.04 136.54 33.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.4 p -105.52 -175.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.61 -50.22 24.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.146 0.498 . . . . 0.0 110.81 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 84' ' ' THR . 6.6 mtpm? -50.57 -51.97 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.55 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.9 mm-40 -71.5 -32.45 68.23 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.451 ' OG1' HD11 ' A' ' 77' ' ' LEU . 35.0 m -55.65 -49.21 73.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.761 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 5.1 mmpt? -76.94 -43.21 36.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.084 177.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 86.6 m -74.55 -54.97 6.45 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -175.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD21 ' H ' ' A' ' 26' ' ' HIS . 3.6 mm? -73.85 -43.24 59.27 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.515 ' HE1' HD23 ' A' ' 63' ' ' LEU . 14.2 mtp -72.75 -50.94 21.29 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.379 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -62.85 -30.2 71.33 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.944 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -70.13 -58.3 3.96 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.707 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.46 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -56.32 -35.76 66.78 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.294 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.0 p30 -95.01 38.79 1.12 Allowed 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 122.407 0.283 . . . . 0.0 110.718 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.781 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.32 -36.21 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -178.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -57.27 -18.33 16.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.717 0.294 . . . . 0.0 111.42 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.26 60.09 2.07 Favored Glycine 0 C--N 1.334 0.444 0 CA-C-N 116.395 -0.366 . . . . 0.0 112.888 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -113.61 -9.54 13.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.15 -26.12 9.23 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.535 -0.841 . . . . 0.0 113.212 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.1 OUTLIER -126.35 157.25 38.95 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.546 0.338 . . . . 0.0 110.263 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 86' ' ' MET . 33.0 mt -106.3 112.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.045 0.45 . . . . 0.0 111.616 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.83 25.83 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.743 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.515 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 10.8 p -47.86 -35.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.493 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -72.74 -54.35 9.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.47 0.652 . . . . 0.0 110.158 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -59.61 -32.72 70.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.11 -179.654 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -52.2 -25.43 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.197 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.3 p -70.27 -45.1 67.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.365 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.781 HG21 ' CB ' ' A' ' 91' ' ' LYS . 88.1 m -58.19 -38.53 76.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.902 0.382 . . . . 0.0 110.219 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.736 HD13 ' CE2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -53.01 -36.71 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.414 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.82 -42.14 91.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.37 -26.57 46.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.55 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -57.39 -69.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.755 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 7.2 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.796 0.332 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.523 ' SD ' HD12 ' A' ' 5' ' ' LEU . 6.1 tpp 52.62 65.63 1.46 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.526 HG23 ' HB2' ' A' ' 8' ' ' ALA . 92.9 m -110.28 -43.95 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.038 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.04 -17.4 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.442 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.523 HD12 ' SD ' ' A' ' 2' ' ' MET . 3.5 mt -108.21 -70.77 0.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.191 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.599 HD21 HG12 ' A' ' 43' ' ' VAL . 56.6 mt -84.8 140.93 30.85 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 11' ' ' ILE . 7.2 p -52.65 110.21 0.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.526 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -63.98 -44.22 93.34 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.35 -41.67 84.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 11.0 t0 -56.01 -52.54 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.595 ' HA ' HG23 ' A' ' 33' ' ' VAL . 10.8 mt -56.53 -53.69 37.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.134 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.49 -45.14 94.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.477 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.643 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 15.6 mtpp -64.08 -52.44 59.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.284 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 32' ' ' MET . . . -66.06 -44.05 85.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.779 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.581 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 8.7 mt -54.47 -48.65 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -9.13 58.05 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.593 -0.813 . . . . 0.0 114.146 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -64.78 -57.07 9.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.512 0.656 . . . . 0.0 111.688 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -134.17 70.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.8 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 p -41.73 -34.73 0.66 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 111.422 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -49.49 -43.67 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.448 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 18' ' ' PHE . . . -48.76 -64.97 0.65 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.074 0.464 . . . . 0.0 110.024 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.16 -22.54 66.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.686 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 3.3 t -61.78 -53.92 49.38 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.725 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 26.3 p90 -95.47 -41.18 9.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.471 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.6 m-20 -152.6 107.75 3.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 111.761 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.536 ' HB3' HD22 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -69.86 -14.32 62.69 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 179.302 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 26.3 mmmt -50.7 -51.09 52.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -59.71 -44.21 93.79 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 33' ' ' VAL . 27.7 t80 -57.27 -37.0 71.72 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.218 178.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HZ ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.6 -28.47 21.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.194 0.521 . . . . 0.0 109.691 178.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 37.2 mt-30 -83.31 -49.05 9.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.17 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 14.0 mmt -71.67 -27.73 63.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.899 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.045 HG11 HD12 ' A' ' 35' ' ' LEU . 14.2 p -70.59 -24.98 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.425 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' OD2' ' A' ' 10' ' ' ASP . . . 89.27 20.53 45.09 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.598 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.045 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -70.84 -26.98 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.255 0.55 . . . . 0.0 109.732 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.3 mtpp -83.77 5.95 23.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.705 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -52.14 -55.33 21.64 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 120.889 0.376 . . . . 0.0 110.719 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -124.63 -173.21 2.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.281 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 m -55.1 173.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -67.24 -20.13 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -63.07 -44.87 94.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 5.0 m-20 -61.03 -52.53 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.709 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.599 HG12 HD21 ' A' ' 6' ' ' LEU . 28.6 m -61.04 -42.1 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.306 0.574 . . . . 0.0 110.423 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 43' ' ' VAL . 34.8 ttmt -52.47 -30.3 29.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.754 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' CB ' HD13 ' A' ' 5' ' ' LEU . 1.7 mptm? -58.9 -45.29 90.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.777 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 43' ' ' VAL . 1.5 p -62.58 -27.43 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CD1' ' CE1' ' A' ' 102' ' ' PHE . 10.0 t80 -60.79 -30.5 70.09 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -72.35 -30.73 65.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.51 -48.51 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.206 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.0 pp -86.44 -35.18 19.84 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.424 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 47' ' ' PHE . 11.7 t70 -106.42 52.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.664 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.6 -54.33 12.43 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.512 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 4.0 p30 -116.62 23.17 12.2 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' PHE . 26.6 tptp -84.28 -1.54 55.47 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 8.4 t 82.83 15.06 0.38 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 -13.36 54.35 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.397 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 86.6 m-85 -128.33 127.52 42.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.689 ' HB ' HD21 ' A' ' 63' ' ' LEU . 7.3 mt -104.14 142.22 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.419 0.628 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -104.68 142.4 34.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.514 -176.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.726 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.8 pt-20 -38.13 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.344 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.9 m-20 -69.15 -51.78 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.66 0.267 . . . . 0.0 111.195 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 66' ' ' ILE . 1.3 mp0 -85.27 -26.76 26.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 110.094 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.738 ' O ' HD23 ' A' ' 67' ' ' LEU . 16.0 mt -46.67 -49.8 18.75 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.685 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -68.37 -26.48 74.24 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.512 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 54.6 m -82.56 -62.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.328 0.585 . . . . 0.0 109.574 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.77 HG22 ' O ' ' A' ' 62' ' ' GLU . 7.5 tp -56.72 -16.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.955 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.884 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -61.12 -44.4 97.4 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -59.51 -8.3 1.82 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.572 -0.451 . . . . 0.0 112.151 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 68' ' ' LYS . . . -49.22 -43.68 33.71 Favored Glycine 0 C--N 1.339 0.733 0 C-N-CA 119.422 -1.37 . . . . 0.0 110.12 176.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.884 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.5 p90 -97.31 -47.83 5.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.224 0.535 . . . . 0.0 109.681 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' ALA . 7.7 m -71.07 -0.14 8.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.505 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.9 p -46.49 -25.25 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -96.76 27.66 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.229 0.538 . . . . 0.0 110.572 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -150.47 -79.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.269 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 23' ' ' SER . 13.3 ptp180 -170.18 -158.59 0.17 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.04 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -111.7 -173.55 2.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.339 0.59 . . . . 0.0 112.106 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.499 ' HB3' ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -117.79 84.65 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.966 -179.594 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.0 p -69.99 -173.72 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.74 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -48.63 29.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.288 0.566 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' THR . 39.8 ttmt -50.16 -52.98 30.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.235 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 84' ' ' THR . 3.4 mm-40 -71.02 -30.82 67.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.673 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 86' ' ' MET . 62.8 m -61.5 -48.73 79.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 15.7 mmtp -75.33 -28.48 59.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.145 177.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.481 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 86.8 m -87.51 -57.49 2.93 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 26' ' ' HIS . 46.3 tp -81.66 -52.03 7.59 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.727 ' HG2' HD13 ' A' ' 63' ' ' LEU . 9.3 tpp -60.92 -51.47 69.13 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.304 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -54.63 -25.81 28.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.687 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' A' ' 27' ' ' LYS . . . -78.04 -59.37 2.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.235 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.656 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -50.25 -44.63 43.9 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.622 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 92' ' ' ASP . 3.4 p30 -89.79 38.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 122.541 0.336 . . . . 0.0 110.239 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -30.05 -34.5 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.533 1.133 . . . . 0.0 113.451 -178.706 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.4 m-20 -54.71 -19.97 7.34 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.636 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.07 50.78 3.36 Favored Glycine 0 C--N 1.334 0.436 0 CA-C-N 116.278 -0.419 . . . . 0.0 113.621 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -113.3 -10.59 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.8 0.3 . . . . 0.0 111.417 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.39 -14.47 28.76 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.57 -0.824 . . . . 0.0 114.436 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 80.7 mttt -121.58 142.55 50.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.823 -178.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 105' ' ' LEU . 27.6 mt -105.48 140.46 23.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' HA2' ' CZ ' ' A' ' 47' ' ' PHE . . . -146.4 -171.78 16.1 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.956 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.4 t -48.28 -61.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 0.0 110.988 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -55.6 -51.24 67.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.235 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -29.24 69.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.953 -178.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.681 ' CD1' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -54.63 -22.58 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -73.84 -42.77 60.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.069 0.461 . . . . 0.0 109.862 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 91' ' ' LYS . 40.6 m -61.5 -42.13 98.33 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.571 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.681 HD11 ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -52.94 -28.26 22.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.559 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.3 t -68.84 -37.96 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.012 0.434 . . . . 0.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.45 -22.92 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.883 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' OE1' ' CA ' ' A' ' 88' ' ' ALA . 12.5 mm-40 -64.96 -72.11 0.16 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.162 0.506 . . . . 0.0 111.354 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 3.3 t . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 3' ' ' THR . 57.2 m . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.492 ' HE2' HG21 ' A' ' 46' ' ' VAL . 3.6 mtm -67.36 63.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.668 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.453 HG23 ' HB2' ' A' ' 8' ' ' ALA . 60.9 m -100.33 -34.49 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.9 -22.63 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 45' ' ' LYS . 24.8 mt -85.5 -64.38 1.16 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.154 0.502 . . . . 0.0 111.101 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.846 ' HB2' HD11 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -89.12 173.07 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.414 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.84 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.4 m -76.02 110.36 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.143 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -57.25 -36.29 70.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.455 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.13 -44.83 71.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.262 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -62.19 -52.6 63.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.011 0.434 . . . . 0.0 111.674 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.846 HD11 ' HB2' ' A' ' 6' ' ' LEU . 4.4 mt -55.5 -51.33 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.028 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -58.36 -49.38 77.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.406 . . . . 0.0 110.547 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 80.1 mttt -63.27 -50.05 71.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HB1' ' HD1' ' A' ' 29' ' ' PHE . . . -66.02 -51.84 54.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.979 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 70' ' ' PHE . 8.2 mt -55.92 -35.52 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.669 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.07 -45.39 3.87 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.283 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -62.99 -20.98 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' HB3' ' CB ' ' A' ' 22' ' ' ASP . 11.3 m-85 -89.82 99.45 12.45 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 20' ' ' ALA . 9.3 t -91.5 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' N ' HG23 ' A' ' 19' ' ' THR . . . -99.69 -56.58 2.35 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.391 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -42.53 -66.36 0.37 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.989 0.423 . . . . 0.0 111.799 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' CE1' ' A' ' 26' ' ' HIS . 9.7 t70 -61.88 -19.63 62.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -67.63 -52.94 32.28 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.561 179.44 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 31.5 p90 -96.74 -11.17 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' HA ' ' OE1' ' A' ' 81' ' ' GLU . 38.0 t70 -164.03 95.73 0.78 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 61.6 m80 -71.35 -12.68 61.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.84 178.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' HD11 ' A' ' 85' ' ' LEU . 1.2 mtpp -46.9 -54.1 10.73 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.273 -0.267 . . . . 0.0 111.042 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.06 -47.65 84.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' ' 33' ' ' VAL . 21.2 t80 -51.93 -33.29 36.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.819 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.737 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.32 -33.58 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.841 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.642 ' HB2' ' HE3' ' A' ' 32' ' ' MET . 21.1 mt-30 -84.0 -42.94 15.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.808 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.642 ' HE3' ' HB2' ' A' ' 31' ' ' GLN . 20.9 mmt -72.15 -33.43 67.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.567 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.815 HG11 HD12 ' A' ' 35' ' ' LEU . 13.2 p -66.04 -23.88 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.173 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.83 13.53 49.79 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.815 HD12 HG11 ' A' ' 33' ' ' VAL . 2.0 mt -63.81 -33.16 75.05 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.4 mtpp -90.01 -15.72 31.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.494 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HD2' ' OG ' ' A' ' 7' ' ' SER . 61.1 tttp -38.62 -35.54 0.2 Allowed 'General case' 0 C--N 1.34 0.185 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -121.31 -99.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -146.31 178.88 7.91 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 120.79 0.328 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -65.4 -28.85 69.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.183 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 3.0 p30 -63.92 -50.16 69.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 11.8 m-20 -55.37 -52.63 62.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.26 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.697 HG12 HD23 ' A' ' 35' ' ' LEU . 27.8 m -61.0 -35.42 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.366 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.0 ttpt -50.38 -29.68 10.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.415 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HE2' ' CA ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -56.78 -50.76 71.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.426 -178.376 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 43' ' ' VAL . 2.0 p -55.12 -27.56 19.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.96 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.501 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 31.5 t80 -51.73 -49.27 62.87 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.482 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -67.62 -27.47 66.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.131 0.491 . . . . 0.0 110.318 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -69.31 -49.36 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.47 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 58' ' ' ILE . 4.6 pp -88.07 -26.42 22.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.914 -178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t70 -90.21 -2.76 58.08 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 49.5 pttt -47.06 -38.46 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 28.8 m-20 -110.23 26.27 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.409 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 71.8 mmtt -115.81 10.47 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.795 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.6 p 57.39 17.34 3.71 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.424 ' CA ' ' OD1' ' A' ' 51' ' ' ASP . . . 101.29 -4.54 55.02 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.258 -0.973 . . . . 0.0 113.894 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 37.1 m-85 -138.88 133.11 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.31 0.555 . . . . 0.0 111.611 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 50' ' ' LEU . 2.2 mt -103.0 129.79 54.16 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 63' ' ' LEU . 11.4 tt0 -103.35 145.89 29.29 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.834 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HA ' ' HG3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -45.2 -45.52 11.72 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.084 -1.416 . . . . 0.0 111.57 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.36 -51.23 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.076 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 66' ' ' ILE . 44.7 mt-10 -78.06 -13.21 59.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.893 ' CD1' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -57.59 -42.93 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.306 -179.236 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.578 ' CA ' HD23 ' A' ' 77' ' ' LEU . . . -65.64 -25.48 71.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.69 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 m -81.94 -58.25 3.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.217 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 50' ' ' LEU . 6.6 tp -61.85 -16.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.583 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.893 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -56.78 -32.11 65.32 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.458 0.646 . . . . 0.0 110.686 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.53 -21.76 1.06 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.957 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.61 -53.6 7.0 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.636 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.632 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -96.97 -41.61 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.404 0.621 . . . . 0.0 109.51 178.37 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.513 ' HG ' ' C ' ' A' ' 67' ' ' LEU . 28.4 p -70.5 0.47 6.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.821 -1.081 . . . . 0.0 113.157 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.0 t -46.06 -25.76 0.63 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 122.083 -0.386 . . . . 0.0 111.071 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 7.7 t70 -90.7 -30.21 17.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.058 0.456 . . . . 0.0 110.141 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 15' ' ' ILE . . . -91.73 -152.61 0.3 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.413 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -91.99 -91.25 0.16 Allowed 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.324 -0.235 . . . . 0.0 111.411 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p30 168.5 139.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 111.456 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.578 HD23 ' CA ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER -46.95 92.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.423 178.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.8 p -75.83 -171.96 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.691 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 83' ' ' LYS . . . -47.6 -50.43 24.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.094 0.473 . . . . 0.0 110.852 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 84' ' ' THR . 54.8 mtmt -50.62 -53.94 26.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.302 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.5 mm-40 -72.19 -26.64 62.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 60' ' ' GLU . 52.0 m -61.72 -52.29 64.88 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.069 -1.052 . . . . 0.0 108.211 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.859 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -77.76 -28.19 50.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.441 177.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.462 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 87.8 m -87.98 -57.33 2.97 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 27' ' ' LYS . 3.7 mm? -77.73 -49.24 14.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.478 ' HE3' ' O ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -65.81 -50.9 62.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.388 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.859 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -60.66 -31.7 70.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.139 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -81.78 -59.18 2.68 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.726 0.298 . . . . 0.0 110.22 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.589 ' CA ' HD13 ' A' ' 105' ' ' LEU . . . -48.36 -35.39 14.99 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.446 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.4 p-10 -95.59 38.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.587 ' HB3' HG21 ' A' ' 104' ' ' THR . 1.3 tmtm? -29.1 -35.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.543 1.137 . . . . 0.0 113.751 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' ASP . 18.1 t70 -55.34 -19.04 7.64 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.021 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 78.37 57.9 3.26 Favored Glycine 0 C--N 1.335 0.503 0 C-N-CA 121.544 -0.36 . . . . 0.0 113.281 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.6 -9.73 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 78.06 -4.5 57.94 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.326 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -140.43 147.27 39.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 90' ' ' ASP . 40.1 mt -104.97 113.53 42.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.961 0.41 . . . . 0.0 111.245 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.48 171.7 17.68 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 7.9 p -47.71 -39.33 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.66 -48.53 47.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -32.74 72.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.42 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -52.68 -30.45 32.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.0 t -69.97 -43.06 72.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.587 HG21 ' HB3' ' A' ' 91' ' ' LYS . 32.2 m -57.88 -36.66 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.073 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.677 HD21 ' CE1' ' A' ' 30' ' ' PHE . 11.0 tp -59.02 -36.52 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.16 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.94 -35.31 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.12 0.486 . . . . 0.0 109.908 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.71 -37.71 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.668 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 15.9 mm-40 -49.87 -71.01 0.07 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 110.648 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.461 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 7.5 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.4 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.799 0.333 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.534 ' HG2' HD12 ' A' ' 6' ' ' LEU . 9.4 tpt 62.24 41.43 10.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.499 HG22 ' CB ' ' A' ' 8' ' ' ALA . 25.2 p -96.99 -21.48 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.494 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.438 ' C ' HD22 ' A' ' 5' ' ' LEU . 9.0 m-20 -69.56 -35.27 75.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.991 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 42' ' ' ASP . 1.6 mm? -101.0 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.743 HD21 HG12 ' A' ' 43' ' ' VAL . 68.8 mt -74.41 137.88 42.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.623 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.0 p -54.47 110.3 0.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.499 ' CB ' HG22 ' A' ' 3' ' ' THR . . . -60.58 -41.7 95.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.427 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.485 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -64.76 -48.94 72.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.13 -53.22 59.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.418 0.628 . . . . 0.0 111.531 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.713 HD11 ' CB ' ' A' ' 6' ' ' LEU . 10.5 mt -55.76 -53.38 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.201 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.99 -33.37 71.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.552 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HD3' ' HG2' ' A' ' 9' ' ' GLU . 16.2 mtpp -73.45 -52.53 13.35 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.386 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -34.29 75.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.732 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' A' ' 74' ' ' ALA . 10.7 mt -73.7 -41.89 54.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.475 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.68 -4.64 59.09 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.617 -0.801 . . . . 0.0 114.485 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -90.55 -50.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.909 0.855 . . . . 0.0 112.636 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -133.79 63.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.436 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.5 p -41.98 -37.53 1.37 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -46.7 -38.77 10.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.909 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.519 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -51.73 -66.47 0.38 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.063 0.458 . . . . 0.0 109.837 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.49 ' HB2' ' CD2' ' A' ' 29' ' ' PHE . 14.4 t70 -59.76 -21.05 60.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.618 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.5 t -66.92 -58.28 5.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 36.0 p90 -95.79 -39.58 9.78 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.5 m-20 -148.34 98.74 2.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 111.47 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.789 ' H ' HD21 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -70.07 -18.99 63.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.003 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.91 -52.11 15.25 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 122.099 -0.376 . . . . 0.0 110.15 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE3' ' CA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -60.65 -46.8 88.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.136 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 1.6 t80 -55.36 -29.43 58.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.172 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.644 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -64.45 -27.4 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.82 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 48.2 mt-30 -83.16 -52.72 6.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.751 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.447 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 22.4 mtt -68.64 -29.37 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 111.238 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.988 HG11 HD12 ' A' ' 35' ' ' LEU . 11.3 p -65.86 -24.55 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.413 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 87.27 24.13 38.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.665 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.988 HD12 HG11 ' A' ' 33' ' ' VAL . 3.9 mt -70.09 -27.97 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.155 0.503 . . . . 0.0 109.766 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -92.28 -6.8 49.67 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 178.674 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -44.05 -28.39 0.48 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -133.93 -100.99 0.25 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.489 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB2' ' OD2' ' A' ' 41' ' ' ASP . 61.2 m -146.22 179.18 7.68 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.799 0.333 . . . . 0.0 111.367 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -62.7 -31.75 72.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 39' ' ' SER . 2.8 p30 -63.97 -36.94 85.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.677 ' HA ' HD12 ' A' ' 5' ' ' LEU . 7.6 m-20 -69.81 -52.48 24.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.576 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.743 HG12 HD21 ' A' ' 6' ' ' LEU . 35.4 m -61.0 -36.12 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 9.7 mttm -52.01 -27.14 12.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.182 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' CG ' ' HG ' ' A' ' 5' ' ' LEU . 14.2 mptt -56.12 -29.37 60.59 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.048 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.06 -33.37 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 46.4 t80 -55.75 -33.84 64.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.058 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.403 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 39.8 t-80 -72.32 -27.29 62.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 45' ' ' LYS . 23.4 mm -78.17 -49.36 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.2 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.778 HD21 ' HA3' ' A' ' 69' ' ' GLY . 16.1 mt -79.07 -41.72 28.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.935 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.531 ' CB ' ' CE1' ' A' ' 47' ' ' PHE . 12.1 t70 -106.73 47.75 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.98 -49.77 41.67 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.166 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.7 p30 -115.62 19.65 15.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HD3' HG23 ' A' ' 58' ' ' ILE . 48.2 mttm -90.73 12.32 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.9 m 66.19 34.86 6.4 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.03 3.84 57.38 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.375 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.405 ' CD1' ' HA3' ' A' ' 98' ' ' GLY . 86.9 m-85 -139.9 134.32 31.45 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.757 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.664 ' HB ' HD22 ' A' ' 63' ' ' LEU . 10.8 mt -104.4 142.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.879 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.4 mt-10 -103.39 133.19 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.813 0.816 . . . . 0.0 111.805 -177.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HA ' ' CE ' ' A' ' 86' ' ' MET . 2.0 pt-20 -33.93 -33.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.176 -1.375 . . . . 0.0 113.086 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 11.2 m-20 -70.1 -52.01 27.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.533 ' O ' HG22 ' A' ' 66' ' ' ILE . 14.7 mm-40 -83.75 -17.65 40.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.787 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -51.55 -54.55 26.22 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.406 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' ASP . . . -67.03 -19.69 70.17 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.179 -0.919 . . . . 0.0 113.239 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -87.95 -55.96 3.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.525 0.679 . . . . 0.0 109.898 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 62' ' ' GLU . 3.7 tp -64.3 -17.75 21.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.872 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.86 HD13 HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -53.42 -22.87 8.44 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.263 0.554 . . . . 0.0 110.708 178.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 72' ' ' SER . 47.7 mtpt -49.31 -18.99 0.43 Allowed 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.995 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.778 ' HA3' HD21 ' A' ' 50' ' ' LEU . . . -41.58 -50.56 4.8 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.034 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.71 -53.3 3.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 121.641 0.734 . . . . 0.0 109.773 177.117 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 p -70.82 1.84 4.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 68' ' ' LYS . 2.7 p -44.79 -23.9 0.17 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.369 0.531 . . . . 0.0 111.877 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -120.53 51.85 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.842 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -162.58 -91.45 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -150.38 -170.52 3.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.73 0.3 . . . . 0.0 111.304 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 4.5 p-10 -128.14 150.12 50.12 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.119 0.485 . . . . 0.0 111.959 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.071 HD11 ' HE3' ' A' ' 86' ' ' MET . 0.1 OUTLIER -68.75 112.89 5.75 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.974 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' THR . 39.3 t -102.59 -165.21 1.16 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.738 -178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -52.21 20.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.498 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -53.19 -47.82 68.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.206 0.527 . . . . 0.0 110.097 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.816 ' HB2' HD12 ' A' ' 77' ' ' LEU . 2.0 mm-40 -72.47 -24.93 61.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.669 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 78' ' ' SER . 36.3 m -61.95 -50.73 70.97 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.788 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 10.8 mtpp -76.92 -30.3 56.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.043 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.489 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 58.5 m -87.35 -56.6 3.29 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD21 ' H ' ' A' ' 26' ' ' HIS . 3.5 mm? -80.48 -53.15 6.85 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 1.071 ' HE3' HD11 ' A' ' 77' ' ' LEU . 32.9 mtt -61.01 -50.95 71.3 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 119.131 -1.028 . . . . 0.0 110.183 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -58.17 -25.58 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.004 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -82.2 -65.45 1.01 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.004 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.495 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -52.37 -34.31 41.24 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.662 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' ASP . 39.2 t0 -95.19 38.22 1.14 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.051 -0.575 . . . . 0.0 110.973 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.835 ' CB ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -31.16 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.518 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.9 t70 -56.34 -19.84 16.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.536 0.208 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.47 48.97 5.1 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.757 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -113.84 -10.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.105 0.453 . . . . 0.0 111.745 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.418 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 87.42 -25.07 8.51 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.394 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 73.9 mttt -115.2 144.53 43.56 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.409 0.284 . . . . 0.0 110.51 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.426 HG12 ' HB2' ' A' ' 90' ' ' ASP . 36.5 mt -105.0 111.76 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.345 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 57' ' ' PHE . . . -93.61 -160.8 35.27 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.653 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.487 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 9.9 p -68.42 -37.91 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.751 0.31 . . . . 0.0 111.248 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.475 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -72.93 -53.49 11.16 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.375 0.607 . . . . 0.0 110.252 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.413 ' HG2' ' OD1' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -54.59 -38.04 66.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.399 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.11 -25.45 8.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 109.952 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.8 m -73.24 -45.49 55.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.327 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.835 HG21 ' CB ' ' A' ' 91' ' ' LYS . 89.0 m -57.63 -36.91 72.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 110.438 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.644 HD13 ' CE2' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -55.58 -37.4 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.36 179.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.96 -37.48 79.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.347 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.0 -27.95 39.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.389 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.83 -69.97 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.784 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.44 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.42 ' CB ' HG21 ' A' ' 49' ' ' ILE . 50.2 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.881 0.372 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.546 ' HG2' HD12 ' A' ' 6' ' ' LEU . 9.7 tpt -74.96 64.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.538 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 8' ' ' ALA . 92.8 m -116.54 -27.13 6.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.593 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.525 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 5.4 mp -109.92 -66.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.353 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.546 HD12 ' HG2' ' A' ' 2' ' ' MET . 76.9 mt -73.98 137.42 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.344 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.401 ' HB2' ' OD1' ' A' ' 10' ' ' ASP . 19.7 m -64.2 111.11 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.841 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.439 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -52.58 -27.07 15.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.223 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' HG3' ' HD3' ' A' ' 13' ' ' LYS . 4.3 tp10 -69.29 -48.73 60.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.508 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 0.9 OUTLIER -59.3 -53.28 60.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.521 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 6' ' ' LEU . 25.7 mt -56.13 -53.25 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -59.62 -31.81 69.84 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.16 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 38.8 mtpt -70.94 -53.28 15.56 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.163 0.506 . . . . 0.0 110.763 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -69.35 -40.57 77.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.764 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.064 HG23 ' HB2' ' A' ' 74' ' ' ALA . 10.5 mm -55.77 -48.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.433 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.63 -38.99 4.53 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 115.345 0.898 . . . . 0.0 115.345 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -36.77 -43.02 0.41 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.947 ' CD1' ' HB3' ' A' ' 21' ' ' ALA . 6.2 p90 -118.12 146.91 43.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.368 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 m -93.47 -49.75 5.76 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -98.68 -13.1 20.44 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.947 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . . . -46.7 -44.14 18.42 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.661 0.664 . . . . 0.0 111.474 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.52 ' CB ' ' CD2' ' A' ' 26' ' ' HIS . 7.2 p-10 -70.03 -33.01 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.2 t -69.96 -28.39 65.52 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.558 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ALA . 91.9 t80 -95.85 -55.77 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.421 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.401 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 35.0 t0 -162.65 104.81 1.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.217 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.562 ' CD2' ' CD2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -66.23 -9.56 33.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.59 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 1.8 mptt -44.86 -56.28 4.67 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.32 0.581 . . . . 0.0 110.579 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -59.71 -48.95 79.63 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.428 179.034 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.716 ' O ' HG12 ' A' ' 33' ' ' VAL . 41.4 t80 -49.78 -39.1 36.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.008 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.855 ' CZ ' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -57.93 -32.94 68.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.55 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 16.6 mt-30 -84.04 -39.57 19.44 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.7 mmm -71.93 -35.71 69.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 111.222 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.743 HG11 HD13 ' A' ' 35' ' ' LEU . 7.6 p -64.99 -24.58 35.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.262 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.74 22.65 42.05 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.944 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.743 HD13 HG11 ' A' ' 33' ' ' VAL . 1.5 mp -70.5 -34.69 72.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 4.3 mtpp -75.63 -10.81 59.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.891 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -45.15 -55.07 6.09 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.28 -172.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.814 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m -72.2 171.69 11.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.147 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -55.74 -26.88 47.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.074 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.85 -40.73 96.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.961 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.534 ' O ' ' HE1' ' A' ' 2' ' ' MET . 16.0 t70 -65.01 -53.0 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 46' ' ' VAL . 23.3 m -61.29 -35.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.391 0.615 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 50.4 tttm -50.46 -26.35 4.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.636 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HB2' ' HE1' ' A' ' 2' ' ' MET . 5.8 mptp? -58.72 -47.41 84.68 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.048 -0.407 . . . . 0.0 110.654 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.7 p -61.92 -27.51 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CE1' ' CB ' ' A' ' 51' ' ' ASP . 40.5 t80 -68.53 -32.75 72.91 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.586 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.29 -32.73 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.42 HG21 ' CB ' ' A' ' 1' ' ' SER . 6.2 mm -69.58 -49.3 60.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.955 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.9 pp -82.19 -43.71 17.33 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.543 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.53 ' N ' HD12 ' A' ' 50' ' ' LEU . 10.1 t70 -93.36 45.56 1.17 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.563 0.22 . . . . 0.0 111.52 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -70.15 -52.1 26.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.712 0.291 . . . . 0.0 111.296 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 4.5 p-10 -116.43 4.93 13.39 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.462 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HG2' HG12 ' A' ' 58' ' ' ILE . 3.1 tppp? -61.47 -13.31 19.7 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 54' ' ' LYS . 5.8 p 90.89 17.82 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.054 0.541 . . . . 0.0 112.417 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.65 -13.08 54.35 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.77 -0.729 . . . . 0.0 113.931 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 96.3 m-85 -130.88 125.91 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.281 0.541 . . . . 0.0 110.455 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.698 HG21 HD13 ' A' ' 63' ' ' LEU . 3.7 mt -104.78 136.83 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 CA-C-O 121.321 0.582 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' HA ' ' HG3' ' A' ' 96' ' ' LYS . 15.8 mt-10 -102.44 122.73 44.89 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.84 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.87 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -36.48 -33.44 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.015 -1.448 . . . . 0.0 112.574 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 6.6 m-20 -64.62 -50.22 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.431 . . . . 0.0 110.353 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' OE2' ' CB ' ' A' ' 61' ' ' ASP . 1.4 mp0 -89.0 -16.21 32.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.389 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.913 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -54.24 -30.34 49.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.683 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.715 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -66.16 -25.96 72.38 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.554 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 t -84.16 -55.52 4.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.813 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.597 HG22 ' HA ' ' A' ' 63' ' ' LEU . 8.4 tp -59.72 -17.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.018 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -50.62 -25.01 3.7 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.981 0.419 . . . . 0.0 111.422 179.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.1 mttp -49.11 -20.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.244 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.05 -54.89 5.91 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.136 -1.03 . . . . 0.0 111.964 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.813 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.38 -39.9 8.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.864 0.84 . . . . 0.0 110.038 178.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.582 ' HA ' HD12 ' A' ' 15' ' ' ILE . 25.0 p -77.51 2.75 15.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.167 -1.379 . . . . 0.0 113.18 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.2 t -45.3 -26.36 0.51 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.084 -0.385 . . . . 0.0 111.199 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.878 ' OD2' HG21 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -110.12 40.32 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.235 0.541 . . . . 0.0 109.85 178.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.064 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -169.43 -160.16 0.25 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.192 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -88.99 -151.47 0.22 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.008 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 8.8 m-20 -142.42 -179.75 6.47 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.262 0.553 . . . . 0.0 111.603 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.715 HD23 ' HA2' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -68.35 131.47 45.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.761 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.2 m -103.89 -172.81 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.05 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.94 -51.12 24.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 84' ' ' THR . 59.0 mttp -55.03 -50.53 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.412 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.527 ' HA ' HD23 ' A' ' 85' ' ' LEU . 3.5 mm-40 -66.2 -28.12 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.789 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.87 HG23 ' HB2' ' A' ' 60' ' ' GLU . 58.8 m -59.35 -53.09 62.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.903 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.5 mmmt -78.89 -29.72 44.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.138 177.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 59.3 m -87.51 -58.1 2.7 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 81' ' ' GLU . 2.1 mm? -77.81 -49.92 13.35 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.629 ' SD ' HD13 ' A' ' 77' ' ' LEU . 2.0 mmm -73.12 -49.73 26.69 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.226 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.903 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -61.66 -35.42 77.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -77.16 -39.07 50.37 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.108 0.48 . . . . 0.0 110.17 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.568 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -67.17 -32.11 79.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.61 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 93' ' ' GLY . 7.5 p30 -93.76 37.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.274 -0.463 . . . . 0.0 110.595 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.5 tmtt? -33.61 -54.75 0.44 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.173 0.589 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.75 37.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.004 0.43 . . . . 0.0 110.575 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -128.67 -171.74 13.04 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.707 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -114.05 18.23 17.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.618 0.247 . . . . 0.0 111.194 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.96 30.96 2.6 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.757 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -151.15 142.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -109.73 110.75 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.768 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.54 -154.5 29.67 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.499 HG13 ' CD ' ' A' ' 100' ' ' GLU . 11.6 p -67.76 -34.87 70.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.499 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.99 -54.07 8.7 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.367 0.604 . . . . 0.0 111.009 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -28.36 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.295 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.505 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.6 t80 -52.29 -34.33 46.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.343 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 106' ' ' VAL . 86.6 p -78.77 -34.71 45.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.681 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.486 HG21 ' HB3' ' A' ' 91' ' ' LYS . 44.4 m -57.16 -50.2 73.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.85 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.947 HD13 ' N ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -59.0 -24.99 63.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.646 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.947 ' N ' HD13 ' A' ' 105' ' ' LEU . 57.9 t -61.06 -39.96 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-O 121.082 0.467 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.31 -25.85 55.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.309 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.92 -69.2 0.29 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.708 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.24 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -103.37 68.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.399 . . . . 0.0 111.197 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -89.24 -25.66 21.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.39 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.444 ' HB2' HD22 ' A' ' 5' ' ' LEU . 8.9 m-20 -68.22 -29.9 68.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 5' ' ' LEU . 1.7 mm? -102.25 -67.47 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 6' ' ' LEU . 1.4 mt -75.72 156.99 34.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.312 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.431 ' CB ' ' OD1' ' A' ' 10' ' ' ASP . 5.4 m -67.74 111.28 4.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.943 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.19 -31.13 61.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.217 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 10' ' ' ASP . 10.9 pt-20 -74.9 -48.79 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 1.1 m-20 -52.69 -52.65 55.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.362 0.601 . . . . 0.0 111.106 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.644 HG12 HG22 ' A' ' 33' ' ' VAL . 57.9 mt -59.87 -53.96 41.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.477 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -60.48 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.883 0.373 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 37.4 mttm -63.49 -52.35 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.867 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -48.95 77.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.112 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.011 HG23 ' HB2' ' A' ' 74' ' ' ALA . 6.4 mt -54.07 -46.18 66.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.01 -4.01 60.26 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.791 -0.718 . . . . 0.0 114.052 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -76.73 -42.31 41.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.541 0.67 . . . . 0.0 112.074 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.806 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -146.73 140.28 25.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.4 p -87.46 -16.2 35.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.954 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.806 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . . . -45.71 -28.65 1.06 Allowed 'General case' 0 C--O 1.231 0.092 0 CA-C-O 121.085 0.469 . . . . 0.0 111.042 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 29' ' ' PHE . . . -52.71 -64.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.229 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 3.5 p30 -78.32 -23.26 47.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.942 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.51 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.6 t -66.83 -66.02 0.61 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.479 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.687 ' CE2' ' HB1' ' A' ' 20' ' ' ALA . 10.7 p90 -97.35 -51.34 4.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 47.0 t0 -170.37 126.53 0.78 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.746 ' HB2' HD22 ' A' ' 85' ' ' LEU . 89.1 m-70 -70.76 -10.38 59.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.777 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HG3' ' HA ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -46.61 -50.14 17.94 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 122.24 0.216 . . . . 0.0 111.329 -178.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 4.9 mmpt? -65.34 -44.89 86.3 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.638 ' O ' HG12 ' A' ' 33' ' ' VAL . 33.8 t80 -54.33 -31.2 53.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.224 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -59.79 -30.99 69.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.175 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 28.5 mt-30 -83.87 -42.5 16.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.026 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 1.4 mtp -73.67 -33.19 64.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.745 HG11 HD12 ' A' ' 35' ' ' LEU . 13.5 p -65.46 -24.96 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.919 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 10.94 45.58 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.374 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.871 HD23 HG12 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -65.45 -32.69 74.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 11.2 mtpp -83.88 10.35 9.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.279 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.32 -49.32 61.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.871 0.367 . . . . 0.0 110.524 -179.754 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HD2' ' A' ' 37' ' ' LYS . 7.6 ttmt -136.65 -161.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.7 179.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.368 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -67.23 -10.48 51.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.824 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.76 -43.25 99.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' OD1' ' HB3' ' A' ' 38' ' ' LYS . 4.8 m-20 -66.16 -52.04 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.871 HG12 HD23 ' A' ' 35' ' ' LEU . 33.5 m -61.08 -39.43 82.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.176 0.512 . . . . 0.0 110.686 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 82.5 mttt -63.14 -32.47 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.287 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HD3' HD11 ' A' ' 5' ' ' LEU . 50.4 mttm -67.7 -58.43 4.66 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.094 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' HB2' ' A' ' 2' ' ' MET . 12.1 p -54.67 -27.97 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.996 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.691 ' CE1' HD12 ' A' ' 58' ' ' ILE . 21.8 t80 -76.6 -32.52 58.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.682 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 44' ' ' LYS . 24.7 m80 -68.5 -36.52 79.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.075 0.464 . . . . 0.0 109.84 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.67 -50.32 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.904 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.2 pp -83.42 -31.81 26.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.89 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.451 ' HA ' ' HG2' ' A' ' 54' ' ' LYS . 18.1 t70 -87.78 13.46 10.59 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -63.33 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.64 0.257 . . . . 0.0 111.347 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -110.98 26.52 10.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.336 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 51' ' ' ASP . 26.9 mmmt -114.0 1.37 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.2 m 66.12 23.75 10.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.65 -10.14 75.55 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.587 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -134.73 127.7 31.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.216 0.532 . . . . 0.0 111.176 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.691 HD12 ' CE1' ' A' ' 47' ' ' PHE . 4.8 mt -111.74 145.36 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.217 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -100.51 122.08 42.62 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.017 0.913 . . . . 0.0 111.822 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.874 ' HB2' HG23 ' A' ' 82' ' ' THR . 4.9 pt-20 -38.05 -33.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 113.741 -1.572 . . . . 0.0 112.229 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.4 m-20 -69.78 -52.63 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.95 0.405 . . . . 0.0 110.907 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.98 -19.2 54.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.082 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.804 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -47.41 -46.31 26.13 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.29 -29.96 38.89 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.805 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 t -80.04 -58.73 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.18 0.514 . . . . 0.0 110.001 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG21 HG21 ' A' ' 58' ' ' ILE . 6.5 tp -58.84 -17.04 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.086 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 77' ' ' LEU . 2.4 mt -45.48 -27.54 0.75 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.972 0.415 . . . . 0.0 111.56 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 72' ' ' SER . 77.6 mttt -47.49 -21.91 0.39 Allowed 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.446 -177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -43.22 -57.87 4.08 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.294 -0.955 . . . . 0.0 111.206 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.88 -42.11 7.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.635 0.731 . . . . 0.0 109.308 177.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 74' ' ' ALA . 5.0 m -69.53 1.81 3.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.252 -1.34 . . . . 0.0 114.087 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 31.1 t -44.62 -25.04 0.23 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.502 0.592 . . . . 0.0 110.85 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.521 ' HB2' HG21 ' A' ' 15' ' ' ILE . 3.2 m-20 -105.23 -25.59 12.39 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.225 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.011 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -86.94 -162.36 0.78 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.678 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -99.21 -158.77 0.7 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.591 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 22' ' ' ASP . 4.9 m-20 -109.44 -179.79 3.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -109.79 124.62 51.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 109.997 179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 82' ' ' THR . 27.8 m -95.86 -171.72 2.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.76 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.72 -51.04 23.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' THR . 83.5 mttt -50.44 -52.99 32.91 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -73.8 -29.17 62.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 179.772 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.874 HG23 ' HB2' ' A' ' 60' ' ' GLU . 77.1 m -61.34 -50.04 74.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.821 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 6.9 mmpt? -76.27 -31.23 58.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.042 -1.435 . . . . 0.0 111.166 177.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' LYS . 88.8 m -89.1 -57.92 2.72 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.746 HD22 ' HB2' ' A' ' 26' ' ' HIS . 45.2 tp -73.24 -48.77 32.13 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.465 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 1.9 tpp -74.53 -51.29 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.016 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -53.66 -34.36 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.009 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.3 -52.4 16.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.473 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -57.46 -38.86 89.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.233 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' HB3' HG12 ' A' ' 97' ' ' ILE . 3.0 p30 -95.31 37.38 1.18 Allowed 'General case' 0 C--O 1.223 -0.318 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.519 ' HB3' HG21 ' A' ' 104' ' ' THR . 3.4 tmtt? -29.93 -36.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.46 1.104 . . . . 0.0 113.698 -178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASP . 20.0 t70 -55.41 -19.52 9.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.979 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.88 49.91 3.9 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 121.509 -0.377 . . . . 0.0 113.5 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.419 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 6.0 m-20 -113.29 -4.05 13.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.581 0.229 . . . . 0.0 111.293 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 96' ' ' LYS . . . 64.2 12.27 49.46 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.08 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' CE ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -146.59 142.15 27.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' A' ' 90' ' ' ASP . 26.4 mt -111.23 112.17 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.96 0.409 . . . . 0.0 111.656 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -94.01 -166.35 37.09 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.485 HG13 ' CD ' ' A' ' 100' ' ' GLU . 14.7 p -61.36 -32.58 53.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.186 0.493 . . . . 0.0 110.66 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.485 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -74.27 -54.35 7.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.282 0.563 . . . . 0.0 110.97 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.21 -37.82 75.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.634 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 2.6 t80 -52.04 -25.07 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.496 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.8 p -78.0 -42.43 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 91' ' ' LYS . 24.0 m -55.43 -42.27 73.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.476 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.7 tt -54.63 -39.2 67.73 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -55.89 -33.82 35.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.771 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.25 -34.69 55.78 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.968 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mm-40 -66.83 -64.49 0.84 Allowed 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.447 0.642 . . . . 0.0 110.126 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.582 ' HA ' ' HG3' ' A' ' 27' ' ' LYS . 68.7 p . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.877 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 2' ' ' MET . 45.8 t . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.682 0.277 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.613 ' HG3' HG23 ' A' ' 46' ' ' VAL . 15.4 tmm? 74.77 -57.88 0.6 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.034 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 p -69.92 -25.48 63.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.395 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.14 -30.55 27.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.024 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.58 HD13 ' HG2' ' A' ' 45' ' ' LYS . 5.2 mp -97.8 -61.7 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' CB ' HD11 ' A' ' 11' ' ' ILE . 11.0 mt -74.29 137.5 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.798 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.742 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.5 m -55.24 110.19 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.15 70.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.069 0.461 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 12.3 pt-20 -71.6 -46.83 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.714 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.407 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 63.0 m-20 -60.74 -52.85 63.34 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 111.357 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 7' ' ' SER . 5.9 mt -56.59 -45.97 82.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.989 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -59.83 -51.81 68.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' CE ' ' HB2' ' A' ' 9' ' ' GLU . 18.8 mttm -72.0 -51.66 20.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.513 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . . . -54.62 -37.9 66.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.757 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.58 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.4 mt -70.49 -56.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.59 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.13 -49.21 5.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.641 -0.79 . . . . 0.0 114.503 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -40.32 -51.47 2.77 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 117.131 0.465 . . . . 0.0 112.009 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 14' ' ' ALA . 20.9 p90 -130.11 111.0 12.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.108 0.48 . . . . 0.0 111.448 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 20' ' ' ALA . 9.0 t -90.89 -46.15 8.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.656 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.5 ' N ' HG23 ' A' ' 19' ' ' THR . . . -46.71 -51.24 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.348 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' ' CD1' ' A' ' 24' ' ' PHE . . . -44.67 -65.48 0.52 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.583 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 5.8 p-10 -69.81 -34.19 73.36 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.507 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.467 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.4 t -51.85 -40.44 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.354 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 21' ' ' ALA . 1.3 p90 -95.5 -24.87 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.444 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 33.6 t70 -166.91 98.78 0.54 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.278 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -68.96 -17.74 63.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 23.5 mmmt -47.68 -50.22 25.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.918 0.39 . . . . 0.0 110.508 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -60.55 -45.22 94.7 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.647 ' O ' HG12 ' A' ' 33' ' ' VAL . 46.8 t80 -57.09 -36.43 70.59 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.554 178.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.724 ' CZ ' HD22 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -53.0 -30.8 37.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.258 0.551 . . . . 0.0 109.831 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.465 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 36.5 mt-30 -84.35 -41.7 16.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.478 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.408 ' HG2' ' HA ' ' A' ' 29' ' ' PHE . 10.3 mmm -72.07 -36.43 69.55 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.411 0.624 . . . . 0.0 111.028 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 29' ' ' PHE . 11.2 p -63.92 -22.99 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.47 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.95 28.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.416 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.724 HD22 ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -76.09 -30.08 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.267 179.413 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 31' ' ' GLN . 3.5 mtmp? -82.09 -17.15 47.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.426 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -42.06 -29.21 0.22 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' CD ' ' OD2' ' A' ' 42' ' ' ASP . 53.7 mttm -132.57 -168.89 2.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.2 t -78.12 167.64 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -57.49 -21.3 36.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 10.7 m-20 -68.38 -32.8 73.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.453 ' HA ' ' CD2' ' A' ' 5' ' ' LEU . 5.1 m-20 -73.08 -52.27 14.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.492 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.643 ' CG1' HD23 ' A' ' 35' ' ' LEU . 17.0 m -52.74 -35.79 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.32 0.581 . . . . 0.0 110.053 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 44.1 mtpt -50.01 -27.31 5.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.58 ' HG2' HD13 ' A' ' 5' ' ' LEU . 4.3 mptp? -56.78 -48.43 77.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.024 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.613 HG23 ' HG3' ' A' ' 2' ' ' MET . 6.7 p -59.11 -26.99 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.08 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HE1' HD11 ' A' ' 58' ' ' ILE . 9.0 t80 -46.96 -43.18 18.97 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.365 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 60.5 m-70 -75.46 -35.89 60.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.708 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.448 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 44.1 mm -58.91 -50.41 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.386 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.67 ' O ' HD11 ' A' ' 66' ' ' ILE . 4.0 pp -80.46 -41.46 24.37 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.765 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.13 97.54 6.42 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.744 0.307 . . . . 0.0 111.122 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 21.0 ptmt -69.39 -48.72 60.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.159 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 6.4 m-20 -67.75 -20.6 65.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.692 178.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 53' ' ' ASP . 87.7 tttt 82.19 -35.84 0.1 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.161 0.584 . . . . 0.0 109.571 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ASP . 47.5 t 63.46 -53.62 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.032 0.933 . . . . 0.0 113.232 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.07 -15.95 54.48 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -178.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.9 m-85 -165.83 126.61 1.82 Allowed 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.843 HG21 HD13 ' A' ' 63' ' ' LEU . 8.6 mt -103.83 142.12 18.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.333 0.587 . . . . 0.0 110.104 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HG2' ' HD2' ' A' ' 96' ' ' LYS . 21.5 mt-10 -101.89 116.8 33.49 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.767 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -39.26 -32.41 0.11 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.892 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.05 -52.32 36.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.045 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.5 -16.67 36.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.678 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.843 HD13 HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -54.6 -37.63 65.79 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.957 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.641 ' N ' HD23 ' A' ' 77' ' ' LEU . . . -61.85 -21.89 61.55 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.879 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.3 m -81.25 -62.53 1.63 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 50' ' ' LEU . 10.3 tp -62.94 -19.18 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.518 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -46.29 -34.6 4.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.741 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 72' ' ' SER . 78.5 mttt -49.8 -23.01 1.62 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.775 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.79 -53.12 5.4 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.878 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.681 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 2.4 p90 -98.02 -45.37 6.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.229 0.537 . . . . 0.0 110.408 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.424 ' HA ' HD13 ' A' ' 15' ' ' ILE . 5.6 m -73.01 0.88 10.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 4.5 t -46.78 -23.43 0.43 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.052 -0.405 . . . . 0.0 111.847 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.432 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.7 m-20 -94.15 -12.02 29.22 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -113.49 -93.36 0.47 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 76' ' ' ASP . 13.3 ptt180 -155.31 -156.5 0.66 Allowed 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.476 -0.14 . . . . 0.0 110.777 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.0 m-20 -124.0 144.75 49.64 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -47.09 121.29 3.62 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.927 178.177 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -101.08 -177.9 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.638 0.256 . . . . 0.0 110.925 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.89 25.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.189 0.519 . . . . 0.0 110.624 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 39.8 ttmt -52.96 -51.67 60.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.595 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.947 ' HB2' HD12 ' A' ' 77' ' ' LEU . 32.2 mt-10 -66.16 -25.29 66.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 60' ' ' GLU . 8.4 m -63.29 -51.31 66.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -77.02 -30.24 55.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.801 -1.091 . . . . 0.0 110.874 177.41 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 49.5 m -88.57 -57.84 2.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' CE ' ' A' ' 86' ' ' MET . 0.8 OUTLIER -81.35 -52.36 7.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -177.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.72 ' SD ' HD22 ' A' ' 77' ' ' LEU . 6.0 mmt -63.19 -51.11 67.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 119.447 -0.901 . . . . 0.0 110.304 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.95 -24.82 55.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.637 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -76.07 -65.52 0.9 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.917 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.569 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -46.96 -36.15 8.55 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.536 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 96' ' ' LYS . 6.9 p30 -95.72 37.79 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.116 -0.542 . . . . 0.0 109.932 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.636 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -29.16 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.393 1.077 . . . . 0.0 113.801 -178.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' ASP . 14.5 m-20 -54.38 -20.18 6.89 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.721 0.296 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.56 50.1 3.68 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.75 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -110.74 -8.25 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.585 0.231 . . . . 0.0 111.083 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 67.99 19.52 71.86 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.581 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 13.0 mmtp -148.11 141.42 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.495 HD13 ' HA3' ' A' ' 89' ' ' GLY . 30.4 mt -116.81 113.21 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.072 0.463 . . . . 0.0 111.583 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.38 -170.42 18.23 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.614 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.427 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 14.2 p -56.21 -27.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.785 0.326 . . . . 0.0 110.976 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.62 -54.32 8.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.377 0.608 . . . . 0.0 110.616 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -61.17 -27.26 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.04 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.595 ' HA ' HD11 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -51.72 -24.81 6.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.6 p -77.33 -42.06 38.14 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.636 HG21 ' HB3' ' A' ' 91' ' ' LYS . 21.0 m -62.51 -43.03 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.464 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -52.19 -27.02 13.06 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.418 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.63 -36.32 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.978 0.418 . . . . 0.0 110.141 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.26 -26.22 39.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.437 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.448 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 9.3 mm-40 -63.21 -67.91 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.884 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 64.2 p . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.363 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.464 ' CG ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -105.31 49.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.267 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 m -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.1 -16.33 60.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -107.02 -64.41 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 111.598 -179.084 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.75 HD21 HG12 ' A' ' 43' ' ' VAL . 31.6 mt -77.9 146.79 35.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 111.377 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.408 ' HB3' ' OD1' ' A' ' 10' ' ' ASP . 55.6 m -59.59 115.03 3.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.504 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.56 88.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.438 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.79 -45.47 64.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.4 m-20 -50.45 -52.1 41.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.251 0.548 . . . . 0.0 111.053 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.667 ' HA ' HG23 ' A' ' 33' ' ' VAL . 13.8 mt -60.81 -53.99 41.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.483 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -61.66 -44.28 97.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 110.211 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.696 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 18.2 mtpp -65.11 -50.71 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.552 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . . . -65.68 -48.82 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.926 -178.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.096 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.6 mt -54.0 -45.21 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.953 -179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.15 -4.71 59.77 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.539 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -64.84 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.142 0.471 . . . . 0.0 111.747 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.753 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 2.1 p90 -142.65 150.26 39.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.013 0.435 . . . . 0.0 111.262 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -84.72 -26.54 27.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.605 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.753 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . . . -46.78 -26.7 1.01 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.723 0.297 . . . . 0.0 111.311 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 18' ' ' PHE . . . -53.34 -57.95 8.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 110.227 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' CB ' ' HB2' ' A' ' 75' ' ' ARG . 16.4 m-20 -88.02 -17.11 31.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.406 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.473 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 40.5 t -89.24 -56.3 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -95.01 -65.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' OD2' ' CG2' ' A' ' 84' ' ' THR . 60.3 t0 -161.38 127.49 3.8 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 52.6 m-70 -71.77 -12.38 61.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.527 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HE2' ' N ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -47.64 -54.49 11.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 110.343 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.08 -47.57 85.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 15' ' ' ILE . 28.0 t80 -51.69 -32.45 29.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.037 178.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.904 ' CE2' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.96 -29.47 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.674 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 35.0 mt-30 -84.08 -42.69 15.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.698 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.0 mtp -73.23 -32.46 64.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.221 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.015 HG11 HD12 ' A' ' 35' ' ' LEU . 12.4 p -66.28 -24.72 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.91 19.84 35.52 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.822 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.015 HD12 HG11 ' A' ' 33' ' ' VAL . 1.5 mt -70.0 -32.44 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.245 0.545 . . . . 0.0 109.911 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.2 mtpp -82.11 -15.26 54.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.403 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HD2' ' HG3' ' A' ' 38' ' ' LYS . 7.7 tmtm? -46.5 -37.34 7.73 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HG3' ' HD2' ' A' ' 37' ' ' LYS . 62.4 mttm -123.89 -175.23 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.236 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 m -70.74 172.24 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.753 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -66.74 -17.33 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.277 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 2.5 m-20 -74.67 -35.47 62.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' OD2' ' HD3' ' A' ' 38' ' ' LYS . 7.4 m-20 -67.69 -51.85 44.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.056 0.455 . . . . 0.0 109.78 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.75 HG12 HD21 ' A' ' 6' ' ' LEU . 29.9 m -60.16 -36.85 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 109.75 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 26.9 mtpt -50.81 -26.92 6.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.437 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -56.96 -48.62 77.91 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.732 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 43' ' ' VAL . 3.9 p -56.81 -27.36 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.486 ' CE1' HD11 ' A' ' 58' ' ' ILE . 15.3 t80 -46.4 -48.7 18.65 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.935 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 36.8 mm -60.95 -49.43 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.491 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 HD12 ' A' ' 58' ' ' ILE . 4.2 pp -84.71 -30.99 24.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.775 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.2 t70 -93.47 44.68 1.14 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 111.386 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 20.4 ptmt -70.41 -51.05 32.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.057 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.6 t70 -115.91 2.81 13.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.41 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 70.8 mmtt -68.69 -12.17 61.09 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 11.8 t 76.39 43.45 0.15 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . 79.62 -3.08 70.09 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.658 -0.782 . . . . 0.0 114.285 178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 89.3 m-85 -151.66 143.47 23.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.285 0.543 . . . . 0.0 110.826 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -103.87 139.96 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.129 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' HG2' ' CE ' ' A' ' 96' ' ' LYS . 16.7 mt-10 -102.36 119.79 39.41 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.105 -178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.781 ' HB2' HG23 ' A' ' 82' ' ' THR . 2.1 pt-20 -37.71 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.42 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.58 -52.86 22.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.4 . . . . 0.0 110.93 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' A' ' 65' ' ' SER . 8.5 tp10 -84.03 -16.27 44.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.056 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -50.45 -45.47 56.06 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.642 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.39 -24.46 55.99 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.037 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.424 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 35.3 t -84.55 -59.47 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 109.732 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.542 HG22 ' HA ' ' A' ' 63' ' ' LEU . 10.4 tp -59.71 -16.27 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.659 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.705 ' CD2' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -45.36 -28.37 0.84 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.249 0.547 . . . . 0.0 110.8 178.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 48.3 mtpt -49.48 -19.9 0.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.252 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.21 -53.76 7.59 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -97.52 -43.68 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.054 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.471 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 19.5 m -68.26 3.36 1.72 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 113.805 -1.543 . . . . 0.0 113.977 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 40.5 t -44.97 -25.16 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.619 -0.675 . . . . 0.0 111.024 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.04 35.39 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.069 0.461 . . . . 0.0 109.996 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.096 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -141.54 -156.94 0.72 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.078 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 67.6 mtp180 -102.95 -88.05 0.41 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.506 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 2.7 p30 175.65 167.24 0.37 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.064 0.459 . . . . 0.0 112.135 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.705 HD23 ' CD2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -89.5 95.26 10.19 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.963 0.887 . . . . 0.0 109.938 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 42.0 t -68.88 -171.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.61 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -47.91 -50.13 27.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.072 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 84' ' ' THR . 25.8 mtpp -49.81 -54.36 19.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.2 mp0 -69.36 -27.67 65.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.781 HG23 ' HB2' ' A' ' 60' ' ' GLU . 70.2 m -60.18 -52.41 65.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.946 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.5 mmmm -78.02 -31.02 50.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.245 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 62.5 m -88.17 -57.42 2.93 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -176.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -74.75 -50.47 17.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -176.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.685 ' SD ' HD22 ' A' ' 77' ' ' LEU . 1.6 mmm -74.27 -51.44 15.28 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.474 -0.89 . . . . 0.0 111.938 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.946 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -58.34 -31.97 68.08 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.38 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -78.66 -46.09 19.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.574 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -59.08 -35.07 82.33 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.288 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.4 p30 -94.49 38.64 1.1 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.905 -0.647 . . . . 0.0 109.375 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.1 OUTLIER -28.32 -35.55 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 124.539 1.136 . . . . 0.0 113.835 -177.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ASP . 6.5 m-20 -55.31 -19.81 9.69 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.729 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.93 51.1 3.69 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-N 116.183 -0.462 . . . . 0.0 113.199 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -113.43 -10.0 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.35 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.79 -4.28 45.68 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.551 -0.833 . . . . 0.0 114.003 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 58.0 mttt -132.76 142.96 49.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.616 0.246 . . . . 0.0 110.804 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.423 HD12 ' CE ' ' A' ' 86' ' ' MET . 20.4 mt -104.27 112.51 38.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.07 0.462 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.56 175.87 22.84 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.468 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 13.7 p -47.18 -37.05 4.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.43 -51.68 19.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.829 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 0.4 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.676 -178.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.639 ' O ' HD12 ' A' ' 105' ' ' LEU . 13.9 t80 -52.31 -31.22 32.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.002 0.43 . . . . 0.0 110.13 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -79.19 -33.08 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.64 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.504 HG21 ' HB3' ' A' ' 91' ' ' LYS . 31.1 m -58.94 -45.63 89.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.434 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.47 -23.95 64.87 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.815 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.895 ' N ' HD13 ' A' ' 105' ' ' LEU . 46.8 t -63.65 -36.43 76.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.142 0.496 . . . . 0.0 109.967 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.96 -27.96 35.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.832 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -63.83 -67.08 0.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.323 0.582 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.485 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.359 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.855 0.36 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.834 ' SD ' HG23 ' A' ' 46' ' ' VAL . 24.7 mtm 60.51 17.32 7.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.1 p -83.74 -46.3 12.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -88.79 -33.91 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.19 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.567 HD13 ' CB ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -74.7 -57.66 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.408 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.494 HD11 ' HB ' ' A' ' 46' ' ' VAL . 33.4 mt -102.03 158.84 15.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.396 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -83.03 110.19 17.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -43.81 95.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.364 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 13' ' ' LYS . 7.9 tp10 -62.75 -32.09 73.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.461 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 1.9 m-20 -73.93 -50.36 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.875 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.487 HG12 ' CG2' ' A' ' 33' ' ' VAL . 56.2 mt -56.18 -38.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.775 0.321 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -68.34 -51.41 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' ALA . 42.5 mtpt -66.25 -49.54 66.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.342 0.591 . . . . 0.0 110.754 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -60.08 -45.79 91.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.314 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 70' ' ' PHE . 14.7 mt -68.85 -35.62 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.673 0.273 . . . . 0.0 111.734 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.78 -17.21 49.3 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.398 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . -75.97 -27.15 57.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CG ' ' HB2' ' A' ' 22' ' ' ASP . 21.0 m-30 -104.97 75.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -92.38 -39.03 11.68 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.84 -61.74 1.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CE2' ' A' ' 24' ' ' PHE . . . -95.93 -68.02 0.82 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.534 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . 8.4 m-20 -55.57 -20.79 14.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.423 ' OG ' ' CG ' ' A' ' 75' ' ' ARG . 32.1 t -42.61 -33.42 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.403 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 21' ' ' ALA . 26.4 p90 -94.67 -42.93 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.554 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.469 ' OD2' ' CE1' ' A' ' 24' ' ' PHE . 69.2 m-20 -66.22 82.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.267 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.674 ' HB2' HD13 ' A' ' 85' ' ' LEU . 96.4 m-70 -70.47 -23.48 62.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -47.73 -61.05 2.14 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 122.317 -0.239 . . . . 0.0 111.059 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 1.7 tpmt? -59.07 -44.74 91.9 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.766 ' O ' HG12 ' A' ' 33' ' ' VAL . 46.2 t80 -53.72 -36.63 62.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.779 178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.905 ' CE1' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -52.62 -31.11 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.396 0.617 . . . . 0.0 109.907 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 19.0 mt-30 -84.16 -43.62 14.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mmm -72.25 -34.81 68.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.088 0.471 . . . . 0.0 111.644 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 29' ' ' PHE . 10.5 p -66.64 -24.04 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.097 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 96.7 10.82 55.01 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.147 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.74 HD12 HG11 ' A' ' 33' ' ' VAL . 2.7 mt -61.83 -34.16 75.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mtpp -86.82 9.77 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.617 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HG2' ' HG3' ' A' ' 38' ' ' LYS . 84.9 tttt -49.21 -69.98 0.1 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.51 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 56.8 mttt -101.36 -89.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -145.44 -177.75 5.72 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.858 0.361 . . . . 0.0 111.353 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.43 -18.5 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.928 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.62 -46.5 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.689 0.28 . . . . 0.0 111.214 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -63.82 -52.81 58.48 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.09 0.471 . . . . 0.0 111.092 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.71 HG12 HD23 ' A' ' 35' ' ' LEU . 31.5 m -55.45 -36.01 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -62.32 -33.12 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.567 ' CB ' HD13 ' A' ' 5' ' ' LEU . 13.3 mptt -68.5 -57.8 5.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.834 HG23 ' SD ' ' A' ' 2' ' ' MET . 4.7 p -52.08 -27.41 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 121.194 0.521 . . . . 0.0 110.025 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 5.3 t80 -59.41 -51.81 68.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.894 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' LYS . 89.3 m-70 -64.86 -35.61 81.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.538 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.449 HG21 ' CE ' ' A' ' 2' ' ' MET . 50.6 mm -51.68 -49.82 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.474 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.5 pp -83.13 -23.51 32.98 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.268 179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.711 ' N ' HD12 ' A' ' 50' ' ' LEU . 4.8 t0 -158.46 78.98 0.8 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.677 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -73.59 -37.64 65.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.805 179.579 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 20.8 t70 -94.51 24.24 4.7 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.405 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HB2' HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -57.85 -18.04 20.0 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.417 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m 70.68 24.85 4.22 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.749 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 100.38 -13.3 59.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.933 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 97.5 m-85 -161.7 139.15 8.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 117.464 0.632 . . . . 0.0 112.299 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.595 ' CG2' HD22 ' A' ' 63' ' ' LEU . 3.8 mt -104.56 146.79 11.41 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.577 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.776 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.38 122.67 42.82 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.975 0.893 . . . . 0.0 111.848 -177.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 82' ' ' THR . 6.5 pt-20 -43.83 -30.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.02 -1.445 . . . . 0.0 111.586 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.3 m-20 -68.64 -51.38 42.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.683 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.31 -22.41 41.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -48.37 -48.36 36.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.29 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -57.31 -23.37 47.72 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.078 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.541 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 38.4 t -83.18 -62.76 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 50' ' ' LEU . 9.9 tp -56.1 -17.5 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.766 HD13 ' CZ ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -45.98 -48.03 16.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -50.57 -15.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.07 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.81 -50.73 25.63 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.66 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.766 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 3.8 p90 -97.9 -44.84 6.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 109.139 177.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' ALA . 88.8 p -72.07 2.3 5.98 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 114.331 -1.304 . . . . 0.0 113.241 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' LYS . 2.3 p -45.77 -25.91 0.57 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.971 -0.455 . . . . 0.0 111.178 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.633 ' HB2' HG22 ' A' ' 15' ' ' ILE . 2.6 m-20 -92.18 -28.11 17.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 110.041 178.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -86.91 -150.89 0.16 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.144 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' CG ' ' OG ' ' A' ' 23' ' ' SER . 79.0 mtp180 -101.37 -85.98 0.42 Allowed 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -178.14 -171.35 0.27 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.311 0.577 . . . . 0.0 111.856 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.64 ' CD1' HD23 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -119.26 72.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.715 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.0 m -62.35 -174.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.6 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -47.28 27.55 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.688 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 84' ' ' THR . 65.3 mttm -49.65 -53.68 22.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.804 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 84' ' ' THR . 6.4 mm-40 -75.22 -27.23 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.565 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 60' ' ' GLU . 89.6 m -61.53 -50.26 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.9 mmpt? -77.3 -30.65 54.29 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.26 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.469 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 97.8 m -87.5 -56.77 3.21 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.674 HD13 ' HB2' ' A' ' 26' ' ' HIS . 10.1 tp -79.93 -52.98 7.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.571 ' HE3' HD12 ' A' ' 97' ' ' ILE . 30.3 mmm -63.53 -51.16 66.67 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.219 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -52.95 -25.27 11.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.891 0.377 . . . . 0.0 110.328 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.37 -63.19 1.43 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.475 ' HA2' ' CA ' ' A' ' 105' ' ' LEU . . . -50.64 -32.86 25.37 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.986 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' ASP . 6.3 p30 -95.32 38.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.08 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' CB ' HG21 ' A' ' 104' ' ' THR . 37.2 tptt -28.63 -35.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.191 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.1 t70 -55.07 -19.82 8.16 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.702 0.287 . . . . 0.0 110.961 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.63 39.41 7.68 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.478 -0.391 . . . . 0.0 113.732 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 9.8 m-20 -100.88 -8.16 22.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.612 0.244 . . . . 0.0 111.122 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 65.83 25.42 71.84 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.874 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 35.5 mttp -155.01 142.77 19.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.571 HD12 ' HE3' ' A' ' 86' ' ' MET . 30.4 mt -117.21 136.37 54.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 111.525 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 102' ' ' PHE . . . -120.9 -155.74 9.63 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.44 HG13 ' OE1' ' A' ' 100' ' ' GLU . 8.8 p -68.54 -33.02 57.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 117.473 0.637 . . . . 0.0 110.965 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.44 ' OE1' HG13 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -74.38 -55.26 6.2 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.044 0.45 . . . . 0.0 111.521 -179.18 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -33.6 74.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.526 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t80 -52.72 -26.46 14.09 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.041 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.7 t -78.22 -41.66 33.71 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.43 HG21 ' CB ' ' A' ' 91' ' ' LYS . 61.8 m -56.98 -37.9 72.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.898 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.905 HD13 ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -61.42 -36.61 80.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.161 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 68.1 t -58.02 -33.28 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.053 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.5 -28.45 37.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.072 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HB2' HD23 ' A' ' 105' ' ' LEU . 7.1 mm-40 -65.69 -67.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.767 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.7 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.745 ' HB2' HG23 ' A' ' 46' ' ' VAL . 11.1 tpt -97.54 24.23 6.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -83.03 -16.38 47.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.679 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.36 -36.1 13.35 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.12 0.486 . . . . 0.0 110.8 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.536 HD13 ' HE1' ' A' ' 2' ' ' MET . 0.6 OUTLIER -81.77 -56.37 4.03 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.44 -178.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.526 HD12 ' CG ' ' A' ' 2' ' ' MET . 72.4 mt -74.09 152.4 39.92 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 p -50.02 110.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.67 -43.38 84.98 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.04 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 10.4 pt-20 -68.18 -46.39 70.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.901 0.381 . . . . 0.0 110.586 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.9 m-20 -50.72 -53.77 28.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 0.0 111.637 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 33' ' ' VAL . 32.5 mt -62.77 -54.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.287 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.34 -47.05 87.7 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.228 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 21.9 mtpp -63.53 -52.55 60.7 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.676 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 10' ' ' ASP . . . -62.16 -44.28 96.96 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.492 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.725 HG21 ' HB3' ' A' ' 73' ' ' ASP . 7.7 mm -54.01 -51.17 48.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.037 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.02 -4.46 58.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.531 -0.842 . . . . 0.0 114.502 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -66.15 -52.53 47.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.526 0.663 . . . . 0.0 112.347 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.538 ' CD2' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -144.0 113.44 7.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.072 0.939 . . . . 0.0 113.031 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' HG2' ' A' ' 75' ' ' ARG . 88.2 m -73.21 -47.08 46.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.475 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.66 -34.93 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' CD2' ' A' ' 18' ' ' PHE . . . -64.96 -65.62 0.65 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.02 0.438 . . . . 0.0 110.41 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 29' ' ' PHE . 3.8 m-20 -58.78 -28.6 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 2.8 t -73.25 -37.7 66.25 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.864 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -95.1 -65.28 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.327 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 45.7 t0 -142.2 121.67 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.367 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.666 ' HB2' HD22 ' A' ' 85' ' ' LEU . 57.4 m80 -70.26 -8.58 51.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.115 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' NZ ' ' HB1' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -45.7 -60.82 2.0 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.507 0.67 . . . . 0.0 110.556 179.014 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -60.16 -48.74 80.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.805 -1.088 . . . . 0.0 110.188 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.802 ' O ' HG12 ' A' ' 33' ' ' VAL . 80.7 t80 -53.73 -38.74 64.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.085 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CE1' HD13 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -52.92 -31.78 41.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.374 0.607 . . . . 0.0 110.286 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 17.1 mt-30 -84.09 -42.69 15.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.7 mmm -72.3 -35.19 68.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 111.193 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 29' ' ' PHE . 7.3 p -65.64 -23.4 32.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.613 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 14.18 55.0 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.171 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.727 HD12 HG11 ' A' ' 33' ' ' VAL . 2.6 mt -64.59 -34.6 78.64 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 6.8 mtpp -78.83 -21.95 46.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.028 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.44 -56.13 12.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.304 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' HA ' ' A' ' 38' ' ' LYS . 9.8 mmpt? -91.42 166.63 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.619 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -68.65 158.29 34.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.682 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 103' ' ' SER . . . -53.12 -25.64 13.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -67.66 -41.68 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' HB3' HD22 ' A' ' 5' ' ' LEU . 2.6 m-20 -66.45 -53.45 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.716 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 46' ' ' VAL . 35.7 m -54.99 -39.48 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' N ' HG23 ' A' ' 43' ' ' VAL . 58.5 mttt -50.57 -31.68 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HD2' ' CD1' ' A' ' 5' ' ' LEU . 89.5 mttt -59.8 -49.86 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.646 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.745 HG23 ' HB2' ' A' ' 2' ' ' MET . 1.5 p -56.7 -27.35 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.514 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 23.8 t80 -53.58 -47.85 69.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.47 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . 28.0 t60 -71.99 -36.53 69.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.438 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 48.2 mm -51.57 -49.43 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.483 0.659 . . . . 0.0 109.634 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HB2' HG13 ' A' ' 66' ' ' ILE . 3.9 pp -89.18 -35.07 16.44 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.171 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.486 ' CB ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -101.81 68.73 1.16 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 123.114 1.435 . . . . 0.0 111.538 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD3' ' HB2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -75.22 -45.16 42.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.953 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.441 ' HB2' ' HD3' ' A' ' 52' ' ' LYS . 21.9 t70 -114.9 22.31 13.56 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HB2' HG12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -49.7 -27.86 5.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.118 0.485 . . . . 0.0 110.432 179.457 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 15.8 m 77.42 38.93 0.2 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.036 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 93.24 -14.78 64.47 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.32 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 95.6 m-85 -164.36 145.13 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.191 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.639 HG21 HD13 ' A' ' 63' ' ' LEU . 2.3 mt -103.31 143.19 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' HG3' ' CE ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -100.58 118.7 37.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.605 0.717 . . . . 0.0 111.714 -177.133 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.5 OUTLIER -39.44 -30.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.356 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.0 -51.57 66.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.96 0.409 . . . . 0.0 110.275 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.82 -16.14 27.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.041 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.87 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -52.46 -40.26 62.07 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.478 0.656 . . . . 0.0 109.498 179.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -60.16 -16.73 42.66 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.347 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -87.67 -55.81 3.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.411 0.624 . . . . 0.0 109.734 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 50' ' ' LEU . 3.7 tp -65.88 -16.07 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 63' ' ' LEU . 1.2 mm? -59.82 -21.97 61.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.006 0.431 . . . . 0.0 110.909 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' SER . 45.7 mtpt -51.5 -19.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.848 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.27 -49.98 10.07 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.62 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 71' ' ' SER . 1.2 p90 -95.67 -45.21 7.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 109.576 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.593 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 6.3 p -70.21 2.96 3.16 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.222 -1.354 . . . . 0.0 114.29 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' LYS . 47.6 t -45.0 -24.41 0.22 Allowed 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.843 -0.536 . . . . 0.0 111.374 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.725 ' HB3' HG21 ' A' ' 15' ' ' ILE . 19.4 t70 -125.92 22.26 7.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.921 178.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -133.5 -136.42 0.17 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.641 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 71' ' ' SER . 18.6 mmm180 -108.94 165.4 11.61 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-O 121.114 0.483 . . . . 0.0 111.143 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' SER . 3.9 p30 -107.77 121.21 44.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.411 0.624 . . . . 0.0 112.203 -178.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.668 HD23 ' CB ' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -41.54 93.93 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.532 177.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' THR . 15.4 m -98.17 -164.25 1.12 Allowed 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.994 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.82 -51.84 21.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -52.54 -54.4 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 111.023 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.668 ' CB ' HD23 ' A' ' 77' ' ' LEU . 1.5 mp0 -72.36 -24.43 61.28 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.846 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.554 HG23 ' HB2' ' A' ' 60' ' ' GLU . 28.7 m -62.81 -50.36 71.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 24.9 mmtt -76.71 -33.05 58.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.151 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 47.7 m -87.73 -57.56 2.9 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.666 HD22 ' HB2' ' A' ' 26' ' ' HIS . 20.2 tp -80.58 -52.77 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.641 ' HG2' HD21 ' A' ' 77' ' ' LEU . 2.9 mmt -63.02 -53.2 57.65 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.448 -0.901 . . . . 0.0 110.635 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.99 -23.83 48.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.558 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB1' ' NZ ' ' A' ' 27' ' ' LYS . . . -87.49 -58.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.442 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -47.22 -41.56 15.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.742 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 92' ' ' ASP . 4.1 p30 -92.77 39.69 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.548 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -31.05 -26.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -178.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' ASP . 4.5 p30 -55.17 -22.21 16.46 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.904 0.774 . . . . 0.0 109.388 177.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.14 47.71 3.77 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.825 -0.625 . . . . 0.0 114.089 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -113.59 -10.32 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.83 0.315 . . . . 0.0 111.244 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.13 -11.57 35.61 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.469 -0.872 . . . . 0.0 113.735 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 67.3 mttt -120.74 147.37 45.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.776 0.322 . . . . 0.0 111.048 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.444 HD13 HD13 ' A' ' 105' ' ' LEU . 17.1 mt -104.53 123.63 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.492 . . . . 0.0 110.695 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.8 161.38 12.73 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.428 ' CG1' ' OE2' ' A' ' 100' ' ' GLU . 13.1 p -47.68 -27.63 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.105 0.452 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' OE2' ' CG1' ' A' ' 99' ' ' VAL . 0.6 OUTLIER -73.13 -53.81 10.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.309 0.576 . . . . 0.0 110.502 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.73 -24.34 64.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.777 -179.217 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 105' ' ' LEU . 5.2 t80 -51.89 -23.41 4.84 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.768 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.62 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 59.5 p -78.46 -40.44 35.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.548 HG21 ' CG ' ' A' ' 91' ' ' LYS . 3.0 m -63.22 -27.09 69.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.76 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -61.38 -35.02 76.32 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.52 -32.08 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.241 0.544 . . . . 0.0 109.609 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.86 -24.77 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.228 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -71.85 -71.88 0.25 Allowed 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.718 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.411 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.567 ' HA ' ' HE3' ' A' ' 2' ' ' MET . 0.0 OUTLIER -88.92 57.37 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.935 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.448 HG23 ' HB2' ' A' ' 8' ' ' ALA . 91.9 m -111.81 -46.26 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.203 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.1 -26.18 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -90.45 -30.62 17.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.033 HD21 HG12 ' A' ' 43' ' ' VAL . 60.5 mt -131.16 148.52 52.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.456 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.7 m -58.56 110.82 1.06 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.448 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.987 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.81 -41.75 87.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.988 0.423 . . . . 0.0 110.69 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 32' ' ' MET . 7.1 m-20 -55.96 -53.31 58.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.731 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.529 ' HA ' HG23 ' A' ' 33' ' ' VAL . 11.0 mt -59.61 -50.71 78.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -59.46 -46.9 87.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.021 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 35.7 mtpt -63.61 -50.96 67.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.64 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' HA ' ' CE1' ' A' ' 18' ' ' PHE . . . -64.68 -54.29 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.884 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 70' ' ' PHE . 7.3 mt -54.87 -35.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.228 -178.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.04 -59.89 1.04 Allowed Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.449 -0.881 . . . . 0.0 114.16 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -38.41 -53.0 1.55 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 14' ' ' ALA . 37.7 p90 -136.25 112.49 9.8 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.026 0.441 . . . . 0.0 111.949 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -90.31 -27.6 19.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.385 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' HB3' ' A' ' 23' ' ' SER . . . -46.41 -48.4 18.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.285 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASP . . . -53.06 -65.36 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.647 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' HA ' ' HB2' ' A' ' 26' ' ' HIS . 3.5 t70 -57.88 -32.78 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.259 0.552 . . . . 0.0 109.559 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . 1.3 t -62.92 -49.93 72.85 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.882 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -96.78 -65.88 0.94 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.756 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 52.1 t0 -134.03 100.92 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 111.472 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.513 ' NE2' ' CD1' ' A' ' 29' ' ' PHE . 26.1 t-80 -70.61 -9.82 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.253 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 109' ' ' SER . 0.4 OUTLIER -45.06 -59.82 2.41 Favored 'General case' 0 C--N 1.338 0.073 0 O-C-N 121.916 -0.49 . . . . 0.0 110.915 -179.447 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.52 -40.96 93.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 33' ' ' VAL . 4.6 t80 -57.62 -28.33 63.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.503 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.754 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -64.19 -30.17 71.25 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.281 0.562 . . . . 0.0 109.504 178.354 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 38.6 mt-30 -81.32 -40.67 23.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.332 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.474 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 38.3 mtp -72.73 -37.09 67.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.173 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.959 HG11 HD12 ' A' ' 35' ' ' LEU . 9.9 p -65.8 -24.8 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.152 0.501 . . . . 0.0 110.99 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.1 29.93 18.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.082 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.959 HD12 HG11 ' A' ' 33' ' ' VAL . 1.1 mt -72.29 -30.48 64.86 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.193 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -86.26 5.36 34.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.648 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -47.35 -42.37 21.38 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -128.05 -94.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.563 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -145.43 -179.33 6.58 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.842 0.353 . . . . 0.0 111.211 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.635 ' HB1' ' HE3' ' A' ' 44' ' ' LYS . . . -60.59 -30.0 69.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.36 -51.44 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.374 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' HA ' HD23 ' A' ' 5' ' ' LEU . 8.0 m-20 -62.56 -52.81 61.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.538 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.033 HG12 HD21 ' A' ' 6' ' ' LEU . 22.4 m -59.95 -38.23 75.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.951 0.405 . . . . 0.0 110.994 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.635 ' HE3' ' HB1' ' A' ' 40' ' ' ALA . 70.5 mttt -51.41 -29.4 15.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.151 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HD3' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -57.34 -46.3 83.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.538 0.209 . . . . 0.0 111.079 -178.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.7 HG12 ' O ' ' A' ' 43' ' ' VAL . 7.3 p -54.28 -25.83 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.004 0.43 . . . . 0.0 110.071 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 9.9 t80 -46.67 -42.59 16.67 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.275 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -74.22 -35.97 63.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.434 HG13 ' SD ' ' A' ' 2' ' ' MET . 37.7 mm -59.88 -51.51 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.626 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.672 ' O ' HD11 ' A' ' 66' ' ' ILE . 4.1 pp -78.13 -41.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.302 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.515 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.53 79.97 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.135 0.493 . . . . 0.0 110.472 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 40.2 pttt -46.78 -47.71 20.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.79 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 17.9 t70 -68.52 -15.24 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.3 tmtp? 43.98 33.9 0.84 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.508 0.671 . . . . 0.0 109.811 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -36.63 -27.61 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.516 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 54' ' ' LYS . . . 103.72 -12.05 53.5 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.495 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 93.7 m-85 -158.79 127.56 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.941 0.401 . . . . 0.0 110.287 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 66' ' ' ILE . 1.5 mt -103.77 144.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.549 ' C ' HD12 ' A' ' 63' ' ' LEU . 8.2 mt-10 -103.1 127.01 50.52 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.717 0.77 . . . . 0.0 112.447 -175.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.808 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.6 pt-20 -33.8 -35.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.21 -51.28 55.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.359 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.13 -24.81 23.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.181 0.515 . . . . 0.0 110.496 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.921 HD22 ' SD ' ' A' ' 86' ' ' MET . 2.0 mt -47.44 -52.66 16.31 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.92 -16.36 51.98 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -92.05 -54.35 3.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.444 0.64 . . . . 0.0 109.713 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.672 HD11 ' O ' ' A' ' 50' ' ' LEU . 9.7 tp -57.34 -23.69 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.891 HD23 ' O ' ' A' ' 63' ' ' LEU . 1.2 mm? -48.26 -26.24 1.89 Allowed 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.251 0.548 . . . . 0.0 111.073 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 27.2 mttm -50.54 -20.98 1.32 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.03 -54.68 3.02 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.74 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.676 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -97.93 -44.43 6.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.191 0.52 . . . . 0.0 110.072 177.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 74' ' ' ALA . 10.4 p -69.55 -0.9 7.41 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 12.5 t -46.98 -25.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.972 0.351 . . . . 0.0 111.222 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 3.5 m-20 -96.29 -21.93 17.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.728 0.299 . . . . 0.0 111.058 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -92.16 -89.01 0.19 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.272 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 74' ' ' ALA . 99.7 mtt180 -159.0 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.258 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' C ' HD22 ' A' ' 77' ' ' LEU . 1.2 p30 168.87 175.2 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.198 0.523 . . . . 0.0 111.557 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 85' ' ' LEU . 1.2 mm? -105.92 89.71 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.233 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 82' ' ' THR . 47.9 t -61.75 -175.67 0.07 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.558 0.218 . . . . 0.0 110.638 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.4 28.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.466 0.651 . . . . 0.0 110.384 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -50.7 -53.99 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.316 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -75.96 -25.42 55.85 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.009 -178.78 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.678 HG21 ' O ' ' A' ' 60' ' ' GLU . 87.1 m -64.33 -48.94 73.68 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.8 mmpt? -74.62 -29.42 61.27 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.64 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 67.5 m -87.14 -56.77 3.23 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.638 HD13 ' C ' ' A' ' 85' ' ' LEU . 3.0 tm? -81.21 -51.58 8.27 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.921 ' SD ' HD22 ' A' ' 63' ' ' LEU . 3.9 tpp -61.29 -50.73 71.8 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.99 -178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.16 -24.9 63.45 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.258 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -67.61 -61.23 1.99 Allowed 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.503 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -51.96 -26.96 20.19 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.342 -0.933 . . . . 0.0 110.906 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 93' ' ' GLY . 23.6 t70 -95.38 35.7 1.3 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 109.904 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.754 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.2 tmtt? -33.63 -54.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.183 -0.917 . . . . 0.0 112.954 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.71 36.93 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -136.08 -157.52 7.85 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.526 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -113.92 -1.04 13.93 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 136.29 -4.18 3.74 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 119.833 -1.175 . . . . 0.0 113.914 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 13.5 mmtp -102.2 140.05 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 86' ' ' MET . 19.2 mt -111.32 111.84 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.199 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -103.13 165.32 15.94 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.404 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 8.1 p -47.56 -33.86 3.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 117.169 0.485 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.98 -49.29 38.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.63 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.408 ' HG2' ' OD1' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -69.91 -26.92 64.39 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.396 -179.187 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -52.64 -25.8 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.038 0.447 . . . . 0.0 110.007 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.5 t -72.9 -44.35 61.38 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.42 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.754 HG21 ' HB3' ' A' ' 91' ' ' LYS . 47.2 m -56.32 -35.01 67.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 105' ' ' LEU . 2.0 tt -58.28 -39.9 80.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.216 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.3 t -54.77 -34.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.122 0.487 . . . . 0.0 109.997 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.62 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.298 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.12 -69.27 0.12 Allowed 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.849 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.182 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.752 0.31 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.759 ' HE1' HD23 ' A' ' 5' ' ' LEU . 3.4 tpt -69.99 87.0 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.792 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.0 p -119.24 -42.43 2.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.603 ' C ' HD22 ' A' ' 5' ' ' LEU . 16.0 t70 -58.18 -19.57 34.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.759 HD23 ' HE1' ' A' ' 2' ' ' MET . 2.5 mm? -110.8 -54.23 2.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.35 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 11' ' ' ILE . 48.2 mt -91.97 146.95 23.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.523 ' O ' HD12 ' A' ' 11' ' ' ILE . 10.5 p -50.98 111.54 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.5 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.32 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 11.4 pt-20 -61.16 -43.55 98.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -60.17 -54.31 47.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.293 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 33' ' ' VAL . 8.1 mt -56.9 -53.22 45.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.662 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -52.08 -43.66 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.964 0.412 . . . . 0.0 110.683 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 29.6 mttm -73.86 -50.77 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.579 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.46 -37.73 87.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.474 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.004 HG23 ' HB2' ' A' ' 74' ' ' ALA . 7.9 mt -73.37 -36.4 48.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.822 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.45 -57.21 1.21 Allowed Glycine 0 CA--C 1.516 0.144 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.636 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -39.76 -49.65 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 25.9 p90 -136.11 120.45 17.98 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.654 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.428 ' CG2' ' HG3' ' A' ' 75' ' ' ARG . 94.3 m -91.59 -37.45 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 23' ' ' SER . . . -46.93 -41.91 16.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . . . -49.26 -66.65 0.36 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 26' ' ' HIS . 5.3 p-10 -69.47 -19.78 63.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.321 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.453 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 8.3 t -55.18 -65.17 0.63 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -96.86 -38.99 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.495 ' HA ' HD11 ' A' ' 85' ' ' LEU . 24.2 t70 -141.75 92.13 2.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -68.53 -8.1 38.41 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.673 -0.239 . . . . 0.0 110.954 178.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 24.4 mmmt -52.3 -54.67 28.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.874 0.369 . . . . 0.0 110.258 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.97 87.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.583 ' O ' HG12 ' A' ' 33' ' ' VAL . 10.2 t80 -49.77 -46.0 50.21 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.805 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CE2' HD13 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -49.96 -26.81 4.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.864 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 49.7 mt-30 -82.98 -49.41 9.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.159 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.452 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 2.5 mtt -72.14 -34.12 68.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.607 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.913 HG11 HD12 ' A' ' 35' ' ' LEU . 15.0 p -64.05 -25.21 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.148 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 90.96 26.6 21.55 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.733 -0.746 . . . . 0.0 114.21 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.913 HD12 HG11 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -71.95 -31.71 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.794 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -88.02 10.12 20.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.51 178.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 38' ' ' LYS . 47.5 tttp -46.33 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.341 0.203 0 CA-C-O 120.731 0.3 . . . . 0.0 111.204 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 19.8 mttt -81.03 -85.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.47 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.8 m -145.7 177.03 9.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.672 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -63.73 -35.66 81.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.849 0.357 . . . . 0.0 110.423 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -50.94 -36.44 38.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.418 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 10.3 m-20 -66.17 -51.07 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.513 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.884 ' O ' HG12 ' A' ' 46' ' ' VAL . 8.2 m -62.34 -35.53 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.883 0.373 . . . . 0.0 110.315 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 0.9 OUTLIER -58.84 -29.93 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.34 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' CB ' ' HG ' ' A' ' 5' ' ' LEU . 4.4 mptp? -56.75 -38.91 73.08 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.884 HG12 ' O ' ' A' ' 43' ' ' VAL . 5.7 p -57.57 -26.81 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 24.1 t80 -49.44 -36.61 22.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.54 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' CD2' ' CE ' ' A' ' 54' ' ' LYS . 12.0 t-160 -75.68 -31.33 59.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.304 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.6 mm -70.54 -52.95 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.366 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 51' ' ' ASP . 4.0 pp -82.16 -37.93 25.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -111.86 86.74 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.233 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -35.6 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.268 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.42 -20.62 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.65 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' CE ' ' CD2' ' A' ' 48' ' ' HIS . 55.4 mttt 41.88 42.36 2.21 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.527 0.68 . . . . 0.0 110.429 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.5 t -52.4 -18.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.764 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 57' ' ' PHE . . . 103.56 -13.34 54.15 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.414 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 89.4 m-85 -161.59 127.9 3.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.957 0.408 . . . . 0.0 110.205 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.442 ' CG2' HD13 ' A' ' 63' ' ' LEU . 2.2 mt -103.16 144.35 13.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' HG2' ' CE ' ' A' ' 96' ' ' LYS . 14.7 mt-10 -98.7 122.41 41.89 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 122.145 0.974 . . . . 0.0 112.657 -175.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.824 ' HB2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -38.41 -32.76 0.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.485 -1.689 . . . . 0.0 112.008 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 15.7 t70 -63.22 -51.2 67.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -88.0 -23.56 23.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.863 ' O ' HD23 ' A' ' 67' ' ' LEU . 4.0 tp -48.95 -50.43 35.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.989 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 77' ' ' LEU . . . -55.23 -27.49 46.71 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -78.07 -58.22 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.168 0.509 . . . . 0.0 110.058 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 63' ' ' LEU . 8.9 tp -59.4 -18.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.305 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.863 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -49.2 -25.9 2.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.068 0.461 . . . . 0.0 110.922 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' SER . 75.5 mttt -49.61 -20.54 0.8 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.596 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -42.61 -55.0 4.74 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.563 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.799 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.655 0.74 . . . . 0.0 109.551 177.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.488 ' HG ' ' C ' ' A' ' 67' ' ' LEU . 77.4 p -69.9 0.2 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.203 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' LYS . 10.9 p -47.34 -26.76 1.37 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.919 -0.488 . . . . 0.0 110.561 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.485 ' O ' HG22 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -116.98 25.42 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.458 178.655 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.004 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -119.87 -88.37 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.671 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' HG3' ' CG2' ' A' ' 19' ' ' THR . 56.0 mtt180 -167.07 -88.31 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.146 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 75' ' ' ARG . 4.6 p30 177.17 -175.86 0.14 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.549 HD21 ' HE3' ' A' ' 86' ' ' MET . 0.2 OUTLIER -127.87 81.2 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.869 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -71.81 -172.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.448 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.55 -48.21 27.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 80' ' ' LYS . 7.9 tmtt? -49.49 -53.71 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.632 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.664 ' HB3' HD23 ' A' ' 85' ' ' LEU . 39.9 mt-10 -75.75 -28.83 58.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.824 HG23 ' HB2' ' A' ' 60' ' ' GLU . 96.9 m -58.35 -50.28 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 29.9 mmmt -76.04 -31.0 58.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.121 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 62.7 m -87.69 -58.63 2.5 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 -176.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 81' ' ' GLU . 1.6 mm? -83.16 -50.73 8.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.549 ' HE3' HD21 ' A' ' 77' ' ' LEU . 11.1 mmt -58.08 -50.8 72.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 119.176 -1.01 . . . . 0.0 109.993 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -54.37 -25.5 24.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.316 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -76.12 -63.09 1.4 Allowed 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.574 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -46.45 -37.99 8.92 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' ASP . 5.8 p30 -91.74 38.29 0.98 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.818 -0.691 . . . . 0.0 109.791 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HB3' HG21 ' A' ' 104' ' ' THR . 2.1 tmtt? -29.31 -35.6 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.512 1.125 . . . . 0.0 113.62 -178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASP . 9.1 m-20 -55.92 -18.45 9.05 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.998 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.88 42.56 5.65 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.614 -0.327 . . . . 0.0 112.941 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -103.48 -4.55 23.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.6 0.238 . . . . 0.0 111.166 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 60' ' ' GLU . . . 56.31 25.93 49.5 Favored Glycine 0 C--N 1.337 0.61 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.403 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 84.3 mttt -153.58 141.16 19.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.556 HG23 HD21 ' A' ' 105' ' ' LEU . 27.7 mt -107.21 112.04 38.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.103 0.478 . . . . 0.0 111.881 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.98 170.06 13.99 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.415 ' CG2' ' HD3' ' A' ' 44' ' ' LYS . 10.7 p -47.6 -28.01 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 117.007 0.404 . . . . 0.0 111.033 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -54.93 6.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.348 0.594 . . . . 0.0 110.618 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -65.12 -26.81 68.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.848 -179.444 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.639 ' HD1' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -52.58 -24.44 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.982 0.42 . . . . 0.0 110.32 179.708 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.529 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 65.8 m -78.11 -38.97 42.8 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 91' ' ' LYS . 26.3 m -63.18 -43.79 97.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -51.79 -24.47 6.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.28 179.593 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.62 -36.96 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.017 0.437 . . . . 0.0 110.08 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.81 -30.19 40.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.161 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.461 ' HB3' ' HE2' ' A' ' 27' ' ' LYS . 10.2 mm-40 -55.82 -68.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.649 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.421 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 4.2 t . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.703 ' HB2' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -79.37 68.22 5.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 -179.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -105.64 -15.43 14.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.524 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.49 -44.06 58.73 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.166 0.507 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.426 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -87.42 -53.71 4.67 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.264 -178.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' CB ' HD11 ' A' ' 11' ' ' ILE . 91.0 mt -74.34 153.37 39.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.217 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.54 ' O ' HD12 ' A' ' 11' ' ' ILE . 6.1 p -55.31 110.77 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.24 87.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 12.7 pt-20 -63.9 -43.13 96.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.0 111.101 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 7' ' ' SER . 0.8 OUTLIER -62.13 -53.71 51.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.777 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.696 ' HA ' HG23 ' A' ' 33' ' ' VAL . 14.9 mt -56.44 -52.55 51.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.768 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -53.04 -44.68 67.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.698 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 54.0 mttt -73.72 -52.52 12.95 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.076 0.465 . . . . 0.0 111.472 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -59.92 -32.2 70.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.435 -178.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.629 HG23 ' HB2' ' A' ' 74' ' ' ALA . 5.7 mt -73.84 -46.71 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.833 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.77 -50.68 1.92 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 120.675 -0.774 . . . . 0.0 114.282 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -36.88 -55.41 0.9 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -131.65 62.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.548 0.689 . . . . 0.0 112.132 -178.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -42.28 -28.42 0.2 Allowed 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HA ' ' CB ' ' A' ' 23' ' ' SER . . . -46.25 -40.71 11.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.244 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -54.55 -64.99 0.66 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.507 ' HA ' ' CG ' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -58.9 -24.01 61.81 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' A' ' 20' ' ' ALA . 1.1 t -67.55 -52.17 41.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.172 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.469 ' CD2' ' OD1' ' A' ' 25' ' ' ASP . 43.4 t80 -96.15 -64.23 1.07 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.615 ' HA ' HD21 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -138.7 112.76 8.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.632 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.613 ' N ' HD11 ' A' ' 85' ' ' LEU . 13.4 m-70 -67.68 -12.67 60.99 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.063 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HE3' ' CB ' ' A' ' 108' ' ' GLU . 12.8 mmmm -48.2 -55.59 10.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.914 0.388 . . . . 0.0 110.646 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HE3' ' CA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -59.86 -49.16 78.79 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.684 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' O ' HG12 ' A' ' 33' ' ' VAL . 20.8 t80 -50.87 -34.68 29.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.648 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.674 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -60.24 -28.24 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.751 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 47.4 mt-30 -83.24 -47.74 11.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.039 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 18' ' ' PHE . 2.2 mtt -72.31 -32.08 66.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 111.234 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' HA ' ' A' ' 11' ' ' ILE . 13.2 p -64.56 -24.07 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.634 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 85.04 26.74 36.14 Favored Glycine 0 N--CA 1.452 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.988 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.713 HD13 ' CG1' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -73.03 -29.98 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 109.927 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -87.64 -10.62 50.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.085 178.338 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -41.33 -70.1 0.12 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.623 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 5' ' ' LEU . 62.2 mttm -80.1 -98.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.409 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.8 p -146.73 161.2 41.1 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -51.75 -34.82 41.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.049 0.452 . . . . 0.0 110.468 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.52 -45.59 77.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 5' ' ' LEU . 11.2 m-20 -54.01 -48.38 70.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.283 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.908 ' O ' HG12 ' A' ' 46' ' ' VAL . 3.4 m -71.15 -36.48 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.526 0.679 . . . . 0.0 109.726 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 99' ' ' VAL . 44.0 tttt -51.54 -32.75 29.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.521 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HG3' ' CD1' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.87 -47.18 87.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.147 -178.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.908 HG12 ' O ' ' A' ' 43' ' ' VAL . 8.7 p -55.68 -25.5 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.12 0.486 . . . . 0.0 110.008 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 35.3 t80 -45.61 -44.16 12.85 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.25 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -75.06 -36.18 61.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.417 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 46' ' ' VAL . 39.4 mm -52.88 -50.02 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.512 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 51' ' ' ASP . 4.1 pp -87.23 -37.04 17.61 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.491 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.451 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -119.67 65.95 0.81 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.965 0.412 . . . . 0.0 111.397 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -72.49 -55.27 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.87 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 12.6 m-20 -117.62 10.84 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 55' ' ' SER . 28.4 tptp -45.46 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.637 0.256 . . . . 0.0 111.416 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 31.4 p 173.03 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.172 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.85 -12.96 46.01 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.17 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -156.85 161.72 39.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.205 0.526 . . . . 0.0 110.189 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.477 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -105.54 142.44 18.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.022 179.156 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -100.42 118.08 35.91 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.776 0.798 . . . . 0.0 111.357 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.992 ' HB2' HG23 ' A' ' 82' ' ' THR . 5.3 pt-20 -36.79 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.666 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 10.6 m-20 -70.05 -52.35 24.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.131 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -85.65 -18.06 34.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.558 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.82 HD13 ' SD ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -50.86 -31.36 17.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.49 179.685 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.421 ' HA2' ' CB ' ' A' ' 77' ' ' LEU . . . -70.93 -26.86 73.2 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.598 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.5 m -81.06 -58.88 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.425 HG13 ' HB2' ' A' ' 50' ' ' LEU . 7.4 tp -59.65 -24.42 28.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.881 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -47.43 -32.31 4.94 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.333 0.587 . . . . 0.0 110.86 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' SER . 3.8 mtpm? -50.03 -21.34 1.2 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.614 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.99 -53.81 4.57 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.581 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.609 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -98.81 -45.32 6.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.234 0.54 . . . . 0.0 110.137 177.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' ALA . 6.1 p -73.13 1.17 9.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.536 -177.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 2.7 t -45.91 -25.08 0.48 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.02 -0.425 . . . . 0.0 111.197 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -107.86 35.28 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -148.84 -90.1 0.08 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.693 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 74' ' ' ALA . 45.6 mtp180 -159.19 -168.19 2.27 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.613 0.244 . . . . 0.0 110.808 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -123.31 140.11 53.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.223 0.535 . . . . 0.0 111.948 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.692 HD23 ' HB2' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -63.07 100.56 0.22 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.556 179.231 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 m -82.14 -176.55 6.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -47.7 -50.07 26.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.219 0.533 . . . . 0.0 110.799 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -50.02 -47.05 53.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.71 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.692 ' HB2' HD23 ' A' ' 77' ' ' LEU . 2.4 mm-40 -73.08 -35.09 66.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.362 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.992 HG23 ' HB2' ' A' ' 60' ' ' GLU . 2.1 m -53.76 -50.34 66.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -76.07 -28.6 57.67 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.272 177.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.462 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 76.8 m -88.01 -58.31 2.61 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -177.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.615 HD21 ' HA ' ' A' ' 25' ' ' ASP . 2.7 mm? -83.35 -51.16 7.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.82 ' SD ' HD13 ' A' ' 63' ' ' LEU . 10.2 mmt -61.64 -46.96 87.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 119.391 -0.924 . . . . 0.0 109.996 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -56.62 -25.85 54.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.143 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' LYS . . . -81.48 -63.37 1.41 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.549 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.463 ' CA ' ' HG ' ' A' ' 105' ' ' LEU . . . -49.92 -33.47 20.86 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 97' ' ' ILE . 18.1 t0 -96.29 37.11 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.605 -0.797 . . . . 0.0 109.322 178.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.605 ' HB3' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -30.62 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.281 1.032 . . . . 0.0 113.462 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASP . 13.0 m-20 -55.83 -18.45 8.67 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.589 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.37 3.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.462 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 11.8 m-20 -113.81 -8.65 13.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 76.56 0.36 67.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.203 -0.999 . . . . 0.0 113.272 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 42.4 mttt -143.67 144.82 32.04 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.583 HD11 ' HA ' ' A' ' 86' ' ' MET . 44.3 mt -103.45 111.42 33.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.227 0.537 . . . . 0.0 111.614 -179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -90.63 168.38 33.13 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.428 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.689 HG22 ' HE2' ' A' ' 44' ' ' LYS . 8.1 p -48.41 -36.84 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.793 0.33 . . . . 0.0 111.239 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.475 ' CD ' HG13 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -73.36 -53.95 9.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.31 0.576 . . . . 0.0 110.676 -179.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -33.46 66.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.745 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.476 ' HD2' HG23 ' A' ' 43' ' ' VAL . 13.4 t80 -52.34 -29.86 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.287 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.5 p -74.92 -39.13 61.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.992 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 91' ' ' LYS . 91.0 m -54.71 -37.44 65.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.979 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.674 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 1.5 tt -55.34 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.97 -35.37 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.896 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.32 -30.97 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.039 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.445 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 5.4 mm-40 -61.51 -66.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.309 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.437 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 11.4 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.971 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.871 0.367 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.776 ' HG2' HG23 ' A' ' 46' ' ' VAL . 15.9 mmt -88.77 15.62 8.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.501 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -74.88 -28.36 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 0.0 111.573 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.38 -20.62 27.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.411 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 5' ' ' LEU . 4.7 mp -107.61 -69.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.774 ' CB ' HD11 ' A' ' 11' ' ' ILE . 24.2 mt -75.44 154.44 37.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.328 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 11' ' ' ILE . 4.2 p -53.32 110.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.68 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 1.6 pm0 -70.27 -37.24 74.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.63 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD2' ' CB ' ' A' ' 7' ' ' SER . 62.5 m-20 -69.06 -52.98 22.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.166 0.507 . . . . 0.0 111.62 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.774 HD11 ' CB ' ' A' ' 6' ' ' LEU . 34.6 mt -55.56 -48.62 77.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.523 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' O ' ' HD3' ' A' ' 12' ' ' LYS . 11.2 tmtt? -56.97 -50.61 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.73 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' A' ' 9' ' ' GLU . 36.9 mttm -67.56 -50.67 57.39 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.69 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.94 82.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.755 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.593 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 9.4 mt -70.0 -37.48 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.697 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.54 -7.47 59.09 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.524 -0.845 . . . . 0.0 113.014 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -95.74 -13.95 23.75 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . 12.3 m-30 -106.56 100.05 9.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' SER . 84.1 m -91.96 -49.32 6.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.764 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -100.6 -56.51 2.32 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.507 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -40.77 -66.08 0.36 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.16 0.505 . . . . 0.0 111.857 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 18' ' ' PHE . 19.6 t70 -65.35 -19.12 65.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.426 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -60.86 -46.86 88.92 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.041 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 17.2 p90 -95.99 -20.57 18.61 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD2' ' HB2' ' A' ' 27' ' ' LYS . 25.7 t70 -152.57 98.81 2.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.533 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -71.67 -20.2 61.98 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.131 178.43 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.533 ' CD ' HD12 ' A' ' 85' ' ' LEU . 13.3 mmmm -45.2 -50.28 11.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 120.92 0.39 . . . . 0.0 110.518 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -60.91 -46.61 89.95 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 3.6 t80 -57.4 -28.06 62.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.852 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE1' HD22 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -61.99 -31.1 71.43 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-O 121.36 0.6 . . . . 0.0 109.877 178.372 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.498 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 41.6 mt-30 -85.1 -41.17 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.119 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.8 -34.4 69.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.355 0.598 . . . . 0.0 110.756 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.878 HG11 HD12 ' A' ' 35' ' ' LEU . 9.8 p -66.39 -21.01 28.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.133 -0.939 . . . . 0.0 112.007 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.96 22.82 62.83 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.878 HD12 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -66.16 -32.55 74.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 3.6 mtpp -80.91 -12.97 59.31 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.457 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -42.94 -33.38 0.78 Allowed 'General case' 0 C--N 1.341 0.231 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -139.87 -178.85 5.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.6 m -57.05 165.88 1.19 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -63.58 -17.9 63.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.132 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.36 -47.86 82.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' HA ' HD23 ' A' ' 5' ' ' LEU . 9.4 m-20 -61.03 -52.53 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.992 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.572 ' CG1' HD23 ' A' ' 35' ' ' LEU . 30.1 m -59.29 -38.27 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.11 0.481 . . . . 0.0 110.699 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -51.66 -28.96 16.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.237 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HG2' HD21 ' A' ' 5' ' ' LEU . 14.0 mptt -60.1 -47.77 84.5 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' HG2' ' A' ' 2' ' ' MET . 0.5 OUTLIER -54.02 -32.22 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE1' ' CD1' ' A' ' 102' ' ' PHE . 1.9 t80 -58.56 -40.99 84.62 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.541 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 38.5 t60 -75.44 -38.53 59.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.505 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.437 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 41.7 mm -50.76 -49.61 25.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-O 121.618 0.723 . . . . 0.0 109.523 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.706 HD13 HG13 ' A' ' 66' ' ' ILE . 4.3 pp -82.88 -42.61 17.54 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.479 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.607 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -119.49 96.73 5.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.646 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 17.5 ptpt -57.9 -50.41 73.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.656 0.265 . . . . 0.0 111.422 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 13.0 t70 -100.54 -22.43 14.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.977 0.417 . . . . 0.0 110.629 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' PHE . 24.9 mttt 56.46 9.85 0.6 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.9 p 38.57 28.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.989 0.423 . . . . 0.0 111.558 -176.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.4 11.8 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-N 115.67 -0.695 . . . . 0.0 113.095 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -168.31 165.56 12.86 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.524 ' CD1' ' CE1' ' A' ' 47' ' ' PHE . 10.4 mt -106.51 143.76 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 121.14 40.84 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.906 0.86 . . . . 0.0 111.405 -177.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -36.54 -33.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.954 -1.476 . . . . 0.0 112.35 -179.101 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.46 -51.99 44.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.967 0.413 . . . . 0.0 110.623 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -82.22 -21.5 36.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.074 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.834 ' O ' HD23 ' A' ' 67' ' ' LEU . 3.1 tp -48.35 -50.59 29.93 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.132 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 76' ' ' ASP . . . -59.48 -21.09 53.58 Favored Glycine 0 C--N 1.318 -0.458 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.521 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.8 t -86.88 -57.69 2.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.219 0.533 . . . . 0.0 109.786 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.706 HG13 HD13 ' A' ' 50' ' ' LEU . 6.8 tp -60.5 -15.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.728 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.882 ' HG ' HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -48.8 -28.82 3.95 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.149 0.499 . . . . 0.0 110.642 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' SER . 42.2 mttp -50.08 -21.79 1.4 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.349 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -41.31 -54.89 3.79 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.171 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.786 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -97.9 -42.16 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.7 p -72.98 4.18 4.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.713 -1.13 . . . . 0.0 113.686 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 41.6 t -43.5 -25.23 0.14 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 118.317 0.508 . . . . 0.0 111.844 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.13 40.49 1.74 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.264 0.554 . . . . 0.0 110.342 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.507 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -157.68 -145.24 0.14 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 76' ' ' ASP . 82.3 mtp180 -107.11 -93.7 0.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.994 0.361 . . . . 0.0 111.403 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 2.4 p-10 169.19 174.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 111.206 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.882 HD13 ' HG ' ' A' ' 67' ' ' LEU . 4.8 mp -66.06 116.8 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.601 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.7 t -92.09 -174.68 3.84 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.9 -50.42 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.358 0.599 . . . . 0.0 110.542 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.18 -49.36 69.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.398 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 85' ' ' LEU . 11.3 mt-10 -71.78 -31.26 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.401 -178.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.0 m -59.53 -50.66 73.04 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.586 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.6 mmpt? -76.08 -29.97 58.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.094 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 89.1 m -88.36 -58.35 2.59 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -177.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.533 HD12 ' CD ' ' A' ' 27' ' ' LYS . 4.7 tp -80.17 -50.37 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.476 ' HE3' ' HB3' ' A' ' 77' ' ' LEU . 26.4 mtt -63.99 -52.29 60.25 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.721 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -62.24 -41.08 98.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.618 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . -70.69 -47.66 58.75 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.67 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -47.23 -35.83 9.64 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.947 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 93' ' ' GLY . 3.0 p30 -95.77 38.39 1.17 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.587 ' HB2' HG21 ' A' ' 104' ' ' THR . 26.0 mmmt -34.26 -32.44 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -117.19 37.63 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -131.39 -165.46 11.44 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.979 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.26 18.81 17.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.518 0.199 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.419 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 104.53 41.71 1.98 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.568 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 45.6 mttp -150.77 140.96 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.882 0.372 . . . . 0.0 110.711 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.436 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 21.1 mt -106.9 111.99 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.985 0.422 . . . . 0.0 110.578 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.517 ' CA ' ' HA ' ' A' ' 57' ' ' PHE . . . -109.91 -154.56 14.94 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.059 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 100' ' ' GLU . 11.9 p -68.49 -43.38 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.2 0.5 . . . . 0.0 111.562 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.473 ' N ' HG13 ' A' ' 99' ' ' VAL . 11.6 pt-20 -72.0 -51.9 19.63 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.441 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 1.4 mp0 -57.84 -33.48 68.7 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.896 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.64 ' CD1' HD11 ' A' ' 105' ' ' LEU . 4.3 t80 -52.73 -23.38 6.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.304 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t -74.57 -38.86 62.55 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.778 HG22 ' OE2' ' A' ' 108' ' ' GLU . 87.6 m -61.57 -42.96 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.907 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.67 HD22 ' HA3' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -58.61 -23.61 59.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.63 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.4 -34.9 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.57 -27.11 37.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.506 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.778 ' OE2' HG22 ' A' ' 104' ' ' THR . 31.7 mt-10 -64.0 -67.52 0.42 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.67 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.23 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.588 ' HG3' HG23 ' A' ' 46' ' ' VAL . 15.9 tmm? -121.76 -38.82 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p -68.41 -27.5 66.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.46 -25.9 66.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 5' ' ' LEU . 4.8 mp -102.21 -60.86 1.47 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.708 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' CB ' HD11 ' A' ' 11' ' ' ILE . 37.4 mt -74.63 137.65 42.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.615 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 p -54.48 111.14 0.73 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.284 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.96 80.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.399 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.497 ' HG2' ' HD3' ' A' ' 13' ' ' LYS . 17.6 tt0 -66.79 -49.08 66.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.55 -53.79 49.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.476 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 33' ' ' VAL . 20.3 mt -56.57 -53.34 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.591 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -54.46 -42.61 70.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' HD3' ' HG2' ' A' ' 9' ' ' GLU . 34.5 mtpt -71.22 -53.02 15.83 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.224 0.535 . . . . 0.0 111.24 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -62.42 -35.77 80.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.178 -179.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 74' ' ' ALA . 6.5 mm -63.68 -55.19 24.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.42 -4.32 60.94 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -92.12 -7.84 47.38 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.181 0.991 . . . . 0.0 112.783 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 14' ' ' ALA . 3.1 m-30 -115.35 111.01 20.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 23' ' ' SER . 70.1 p -91.88 -48.9 6.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.344 178.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -100.3 -50.63 3.88 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.054 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -38.02 -66.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 15.9 p-10 -71.06 -21.3 62.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -52.16 -44.92 64.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.921 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 35.3 p90 -95.53 -36.68 11.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 66.8 t0 -146.27 105.17 3.87 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.475 ' CD2' ' OE2' ' A' ' 81' ' ' GLU . 35.8 m-70 -71.74 -12.15 61.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.78 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 17.2 mtmm -47.5 -52.77 16.26 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 122.14 -0.35 . . . . 0.0 110.505 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -59.35 -44.71 92.64 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' O ' HG12 ' A' ' 33' ' ' VAL . 20.2 t80 -55.5 -31.67 62.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.287 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -60.39 -28.85 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.206 0.527 . . . . 0.0 110.071 178.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 22.0 mt-30 -84.28 -49.32 8.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.96 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.454 ' SD ' ' CZ ' ' A' ' 18' ' ' PHE . 37.7 mtt -72.39 -27.74 62.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.781 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG11 HD12 ' A' ' 35' ' ' LEU . 13.8 p -67.04 -25.41 34.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.85 17.35 30.6 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.286 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.962 HD23 ' CG1' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -72.8 -32.06 65.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.261 0.553 . . . . 0.0 109.956 179.428 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.7 mtpp -87.18 10.91 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.942 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HG2' ' HG3' ' A' ' 38' ' ' LYS . 48.9 tttm -47.54 -65.83 0.5 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.505 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 32.4 mtmt -106.41 -90.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.447 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -143.29 -178.88 6.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.836 0.351 . . . . 0.0 111.041 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -65.78 -20.12 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.295 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.21 -44.39 92.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.238 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 12.8 m-20 -67.37 -52.31 41.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.153 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.962 ' CG1' HD23 ' A' ' 35' ' ' LEU . 35.1 m -56.31 -35.55 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -49.53 -30.61 8.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.78 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' ' CD2' ' A' ' 5' ' ' LEU . 5.7 mptp? -59.77 -52.32 65.99 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.956 HG12 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -55.01 -26.7 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CE2' ' CD1' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -60.67 -46.12 91.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.433 179.678 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' LYS . 85.7 m-70 -69.79 -41.52 74.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.365 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 45' ' ' LYS . 8.8 mm -52.58 -50.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 109.865 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -80.54 -37.79 30.85 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.327 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -120.05 61.77 0.85 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 110.798 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -71.57 -53.01 15.16 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.09 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 18.6 t70 -115.59 11.0 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -52.21 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.979 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m 171.28 36.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.773 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.25 10.14 39.83 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.439 ' HA ' ' HA2' ' A' ' 98' ' ' GLY . 4.7 p90 -164.58 144.28 7.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.577 ' CG2' HD22 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -103.74 143.57 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.442 0.639 . . . . 0.0 111.259 -178.209 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HG2' ' HG2' ' A' ' 96' ' ' LYS . 27.4 mt-10 -100.54 122.45 43.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.57 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.505 ' HB2' HG23 ' A' ' 82' ' ' THR . 4.3 pt-20 -42.96 -32.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.843 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 7.2 m-20 -70.49 -52.88 18.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.67 -18.11 58.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.994 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.805 ' O ' HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -47.13 -51.0 19.21 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.255 179.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.35 -28.06 42.28 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.884 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 50.9 m -81.09 -62.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 63' ' ' LEU . 4.7 tp -56.28 -17.15 3.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.328 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.32 -47.67 13.2 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.128 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -49.91 -13.11 0.09 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -178.256 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.14 -55.02 10.82 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 119.378 -1.391 . . . . 0.0 110.409 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.52 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 4.2 p90 -98.61 -39.36 8.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 122.152 0.977 . . . . 0.0 108.586 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 15' ' ' ILE . 18.7 t -73.79 2.33 8.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.484 -1.689 . . . . 0.0 113.057 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -45.79 -25.79 0.56 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.929 -0.482 . . . . 0.0 111.325 -179.032 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.592 ' HB2' HG21 ' A' ' 15' ' ' ILE . 5.0 m-20 -120.14 25.13 10.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.547 178.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -134.07 -155.46 0.66 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.438 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' NE ' ' OG ' ' A' ' 23' ' ' SER . 63.0 mtp85 -101.32 166.82 10.56 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.003 0.43 . . . . 0.0 111.398 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.3 161.53 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.367 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.492 HD22 HD21 ' A' ' 67' ' ' LEU . 1.5 tp -77.02 124.51 27.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.67 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' ALA . 47.9 t -103.13 -167.49 1.39 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.76 0.314 . . . . 0.0 110.37 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' ' OG ' ' A' ' 78' ' ' SER . . . -51.31 -50.46 59.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.289 0.566 . . . . 0.0 110.761 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 84' ' ' THR . 99.1 mttt -60.61 -54.94 39.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.855 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.475 ' OE2' ' CD2' ' A' ' 26' ' ' HIS . 5.4 mt-10 -66.76 -35.16 79.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.65 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 60' ' ' GLU . 99.0 m -60.64 -49.38 77.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.965 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.3 mmmt -73.65 -25.32 60.22 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.93 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.577 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 88.5 m -86.05 -56.19 3.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.081 0.467 . . . . 0.0 112.086 -178.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' A' ' 27' ' ' LYS . 4.2 mm? -72.42 -48.26 42.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.846 ' HE3' HD12 ' A' ' 97' ' ' ILE . 5.9 mmm -81.68 -50.69 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.55 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.965 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.69 -30.82 69.05 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.838 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 84' ' ' THR . . . -83.69 -56.09 3.91 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.158 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.53 ' HA3' HD11 ' A' ' 97' ' ' ILE . . . -56.36 -28.34 54.99 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.338 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 92' ' ' ASP . 36.0 t70 -96.07 38.97 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.336 . . . . 0.0 110.351 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.97 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -32.69 -25.83 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.548 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 12.1 t70 -58.06 -21.63 46.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.828 0.74 . . . . 0.0 109.978 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.15 53.75 7.52 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.862 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 18.6 t70 -113.27 -9.74 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.54 -18.03 56.03 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.209 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -123.1 143.14 50.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.414 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.846 HD12 ' HE3' ' A' ' 86' ' ' MET . 0.9 OUTLIER -102.78 111.58 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.094 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -101.96 -173.43 27.77 Favored Glycine 0 N--CA 1.44 -1.048 0 C-N-CA 120.367 -0.92 . . . . 0.0 111.981 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.2 -31.47 42.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.42 -54.99 6.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.151 0.501 . . . . 0.0 111.255 -178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.452 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -68.76 -22.75 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.217 -179.295 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.588 ' CD1' ' CE2' ' A' ' 47' ' ' PHE . 3.3 t80 -51.18 -50.5 58.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' CB ' ' A' ' 40' ' ' ALA . 47.3 t -57.01 -29.85 63.68 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.97 HG21 ' CG ' ' A' ' 91' ' ' LYS . 13.5 m -70.19 -40.27 74.73 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.225 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.531 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -58.57 -38.26 77.51 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.2 -51.4 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.05 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.54 81.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.326 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.442 ' OE2' ' HB1' ' A' ' 88' ' ' ALA . 6.5 mm-40 -52.86 -68.55 0.16 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.314 0.578 . . . . 0.0 110.549 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.438 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 3.4 t . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.74 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.635 ' HE3' ' N ' ' A' ' 46' ' ' VAL . 12.9 tpp 65.41 41.03 4.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.027 0.441 . . . . 0.0 110.388 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.599 HG22 ' CB ' ' A' ' 8' ' ' ALA . 31.0 p -98.64 -30.43 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.338 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.43 -19.38 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.285 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD21 ' HG2' ' A' ' 45' ' ' LYS . 5.5 mp -119.2 -65.86 1.13 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.847 0.356 . . . . 0.0 111.373 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.659 HD13 ' HG ' ' A' ' 35' ' ' LEU . 21.1 mt -74.27 144.47 44.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 11' ' ' ILE . 2.7 p -51.7 110.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.599 ' CB ' HG22 ' A' ' 3' ' ' THR . . . -61.93 -43.59 98.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 14.8 tt0 -73.2 -50.15 24.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.792 0.33 . . . . 0.0 110.989 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' HB3' ' OG ' ' A' ' 7' ' ' SER . 10.8 t0 -49.83 -46.69 51.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.037 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.589 HG22 HD12 ' A' ' 15' ' ' ILE . 20.8 mt -56.78 -45.15 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.405 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.59 -42.62 97.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.897 0.38 . . . . 0.0 110.81 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' CD ' ' HG2' ' A' ' 9' ' ' GLU . 1.8 mtpp -67.65 -50.54 57.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.318 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -67.45 -36.91 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.509 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.666 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 5.3 mt -67.51 -36.85 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.56 -4.97 63.58 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.1 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.06 32.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.045 0.423 . . . . 0.0 111.894 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CG ' ' HB2' ' A' ' 22' ' ' ASP . 12.8 m-85 -109.9 74.73 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.252 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -92.33 -36.6 13.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.33 -61.39 1.44 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.84 -67.87 0.83 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.492 ' HB2' ' CG ' ' A' ' 18' ' ' PHE . 11.8 m-20 -56.93 -17.62 10.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.747 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.3 t -45.45 -25.99 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.667 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 25' ' ' ASP . 5.6 p90 -84.54 -47.5 10.51 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.472 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.543 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.1 p30 -78.81 85.97 4.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.65 0.262 . . . . 0.0 110.949 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -70.79 -14.34 62.38 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.505 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HG2' ' CA ' ' A' ' 109' ' ' SER . 0.0 OUTLIER -57.44 -57.09 14.18 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.547 0.689 . . . . 0.0 110.361 179.389 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -38.32 68.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.685 -1.143 . . . . 0.0 107.939 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.684 ' O ' HG12 ' A' ' 33' ' ' VAL . 27.0 t80 -63.47 -37.07 85.89 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.55 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.751 ' CE2' HD22 ' A' ' 35' ' ' LEU . 6.3 t80 -52.08 -27.42 13.9 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.233 0.539 . . . . 0.0 109.762 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.503 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 41.6 mt-30 -84.35 -54.37 4.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.486 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.416 ' C ' ' HB2' ' A' ' 14' ' ' ALA . 61.3 mtp -71.46 -20.39 62.09 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 29' ' ' PHE . 13.4 p -74.1 -24.65 19.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.117 0.484 . . . . 0.0 111.103 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.2 24.18 41.57 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.391 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.751 HD22 ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -74.33 -31.61 62.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.496 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.503 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -79.6 -8.61 59.3 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HD3' ' HG3' ' A' ' 38' ' ' LYS . 8.2 tmtm? -45.37 -27.6 0.71 Allowed 'General case' 0 C--N 1.345 0.388 0 CA-C-O 120.818 0.342 . . . . 0.0 110.995 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HG3' ' HD3' ' A' ' 37' ' ' LYS . 39.2 mtmt -143.22 -179.76 6.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -60.28 157.57 13.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.983 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.512 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.54 -20.74 8.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 9.7 m-20 -62.31 -34.66 77.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.092 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.97 -52.74 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 40' ' ' ALA . 29.1 m -57.3 -40.84 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.395 0.617 . . . . 0.0 110.32 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 43' ' ' VAL . 64.5 mttt -52.47 -27.34 15.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG2' HD21 ' A' ' 5' ' ' LEU . 14.1 mptt -56.89 -47.12 81.25 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -177.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.635 ' N ' ' HE3' ' A' ' 2' ' ' MET . 0.6 OUTLIER -58.24 -28.75 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.709 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 102' ' ' PHE . 9.3 t80 -61.35 -45.27 95.09 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.753 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.0 -37.96 89.34 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 45' ' ' LYS . 37.5 mm -55.52 -48.67 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.32 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 66' ' ' ILE . 5.3 mt -89.13 -24.09 22.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.338 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 47' ' ' PHE . 1.8 m-20 -91.71 26.6 2.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 111.711 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -62.12 -41.04 97.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.47 -19.21 13.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 51' ' ' ASP . 42.2 mmtm -62.79 -14.24 42.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.54 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 m 69.85 22.89 5.78 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.28 -12.66 58.61 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.345 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD2' ' HA3' ' A' ' 98' ' ' GLY . 36.2 m-85 -144.49 132.77 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.16 0.505 . . . . 0.0 111.331 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.535 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 1.4 mp -103.97 144.0 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.674 ' C ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -99.98 137.78 37.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.858 -177.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.616 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -32.08 -38.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.873 0.733 . . . . 0.0 112.573 -177.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.69 -52.38 26.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' GLU . 11.6 mm-40 -76.95 -17.68 58.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.395 178.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.674 HD23 ' C ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -50.4 -24.04 2.79 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.818 179.134 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.815 ' CA ' HD23 ' A' ' 77' ' ' LEU . . . -74.86 -20.17 79.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.702 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -86.52 -51.66 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.83 0.824 . . . . 0.0 108.794 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.7 HD13 HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -52.77 -41.0 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.0 179.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -50.18 -39.83 45.01 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 111.159 -179.651 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 72' ' ' SER . 38.5 mttp -50.01 -26.56 4.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.939 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.567 ' CA ' HD21 ' A' ' 50' ' ' LEU . . . -44.34 -48.38 8.45 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.657 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 49.8 p90 -95.19 -49.2 5.6 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.428 0.633 . . . . 0.0 109.481 178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.506 ' HB3' ' CE2' ' A' ' 70' ' ' PHE . 60.2 p -69.83 -0.09 6.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.504 -1.226 . . . . 0.0 114.114 -177.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 30.1 t -46.49 -23.33 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.993 -0.442 . . . . 0.0 111.55 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.14 29.78 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.522 0.201 . . . . 0.0 111.533 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.666 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . . . -154.87 -90.19 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -152.34 -174.34 4.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.661 0.267 . . . . 0.0 110.806 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -127.9 146.9 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 112.012 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.041 HD12 ' HB2' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -35.82 135.45 0.3 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.401 178.383 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.6 m -113.15 -179.11 3.55 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.8 -50.42 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.285 0.564 . . . . 0.0 110.82 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 63.2 tttp -56.13 -54.08 49.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.18 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 1.041 ' HB2' HD12 ' A' ' 77' ' ' LEU . 31.3 mt-10 -59.49 -25.95 64.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.547 ' CA ' HD11 ' A' ' 77' ' ' LEU . 48.6 m -63.34 -51.65 65.08 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.704 -0.851 . . . . 0.0 108.704 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.0 mmpt? -77.6 -27.98 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.819 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 37.3 m -88.39 -59.49 2.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 26' ' ' HIS . 3.2 mm? -83.64 -52.17 6.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -177.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.644 ' SD ' HD12 ' A' ' 63' ' ' LEU . 5.2 mmt -61.09 -51.5 68.87 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.553 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -59.15 -23.77 62.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.671 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -77.41 -65.28 0.98 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.074 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.488 ' CA ' HD13 ' A' ' 105' ' ' LEU . . . -49.96 -28.65 12.67 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.076 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 92' ' ' ASP . 13.4 p30 -95.17 39.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.68 0.392 . . . . 0.0 110.326 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.827 ' HB2' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -28.6 -32.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -178.242 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 90' ' ' ASP . 22.2 t70 -55.96 -19.96 14.4 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.393 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.55 46.37 7.4 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.208 178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -109.96 -7.87 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.634 0.254 . . . . 0.0 111.047 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.8 27.97 72.57 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.906 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 55.1 mttt -152.06 142.68 22.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.784 0.326 . . . . 0.0 110.645 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.433 HG22 ' CE1' ' A' ' 47' ' ' PHE . 27.6 mt -104.9 141.07 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.894 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.485 ' HA3' ' CD2' ' A' ' 57' ' ' PHE . . . -142.25 171.18 24.72 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.343 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.6 p -47.73 -36.81 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -54.32 8.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.419 0.628 . . . . 0.0 110.65 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.431 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -63.94 -31.76 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.031 -179.16 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 5.5 t80 -53.55 -26.12 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.072 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.9 t -68.76 -45.2 72.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.053 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.827 HG21 ' HB2' ' A' ' 91' ' ' LYS . 85.0 m -58.38 -42.9 88.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.255 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.501 HD21 ' CE1' ' A' ' 26' ' ' HIS . 27.9 tp -54.71 -29.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.102 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 102' ' ' PHE . 26.3 t -69.61 -41.76 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.038 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.04 -28.25 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.948 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 88' ' ' ALA . 35.3 mm-40 -50.83 -65.87 0.48 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.818 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.451 ' OG ' ' HG3' ' A' ' 31' ' ' GLN . 26.8 t . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.98 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 2' ' ' MET . 47.0 t . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.725 0.298 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 46' ' ' VAL . 35.5 ttp 86.6 -36.43 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.762 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -73.36 -33.19 64.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.815 0.34 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -75.72 -25.08 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -106.42 -58.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 43' ' ' VAL . 16.1 mt -88.01 145.33 26.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 11' ' ' ILE . 6.4 p -60.87 110.39 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.249 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.18 98.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.06 -48.95 79.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.163 0.506 . . . . 0.0 111.314 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.409 ' HB2' ' OG ' ' A' ' 7' ' ' SER . 1.7 m-20 -60.44 -52.13 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.241 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.562 HD11 ' CB ' ' A' ' 6' ' ' LEU . 19.2 mt -54.52 -53.44 31.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.456 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -55.84 -45.99 78.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 19.9 mtpp -67.94 -50.1 57.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.357 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.23 -51.66 55.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.101 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 70' ' ' PHE . 9.0 mt -56.86 -45.62 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.93 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.45 -37.12 32.09 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.576 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 13' ' ' LYS . . . -75.29 -4.86 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 11.0 m-30 -115.16 88.87 2.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' SER . 95.1 m -90.72 -45.31 8.93 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -97.57 -37.29 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.192 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HB3' ' CG ' ' A' ' 18' ' ' PHE . . . -47.74 -66.0 0.47 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.769 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' A' ' 18' ' ' PHE . 68.8 m-20 -58.12 -30.6 66.43 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.8 -32.26 73.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.361 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ALA . 64.2 t80 -95.26 -48.02 6.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.819 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' CA ' ' OE1' ' A' ' 81' ' ' GLU . 24.0 t70 -159.49 101.61 1.53 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.874 0.369 . . . . 0.0 111.753 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -70.81 -18.44 62.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.652 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HB2' ' OD2' ' A' ' 25' ' ' ASP . 30.1 mmmt -49.0 -50.71 34.56 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 5.9 mmpt? -59.41 -45.74 90.67 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' ' 33' ' ' VAL . 24.1 t80 -56.43 -36.14 68.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.565 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' HE1' HG22 ' A' ' 106' ' ' VAL . 0.6 OUTLIER -52.73 -31.7 39.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.3 0.572 . . . . 0.0 109.528 178.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 29.4 mt-30 -84.66 -41.69 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.513 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.9 mmm -71.22 -35.8 71.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.392 0.615 . . . . 0.0 110.984 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.803 HG11 HD12 ' A' ' 35' ' ' LEU . 14.7 p -66.13 -21.99 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.895 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' OG ' ' A' ' 7' ' ' SER . . . 86.64 20.17 54.73 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.856 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.803 HD12 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -67.6 -34.35 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.328 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 7.9 mtpp -78.78 -13.71 59.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.349 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 7' ' ' SER . 4.9 tmmt? -53.81 -22.84 10.41 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.69 0.281 . . . . 0.0 111.21 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -131.83 -174.34 3.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.831 0.348 . . . . 0.0 111.012 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.5 p -87.27 171.91 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.109 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.629 ' HB1' ' NZ ' ' A' ' 44' ' ' LYS . . . -50.54 -48.36 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.454 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -53.04 -38.0 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -70.55 -52.73 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.743 ' CG1' HD23 ' A' ' 35' ' ' LEU . 16.1 m -59.96 -36.32 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 110.919 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.629 ' NZ ' ' HB1' ' A' ' 40' ' ' ALA . 45.8 mttp -49.94 -29.04 7.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.768 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 4.5 mptp? -57.53 -52.91 63.48 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.105 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 43' ' ' VAL . 4.3 p -61.82 -26.98 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 120.376 -0.53 . . . . 0.0 109.673 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 41.0 t80 -74.1 -38.05 63.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.439 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -67.27 -43.15 82.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 45' ' ' LYS . 5.3 mm -48.41 -49.07 13.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-O 121.404 0.621 . . . . 0.0 110.167 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.49 ' HB2' HD11 ' A' ' 66' ' ' ILE . 4.2 pp -86.82 -27.44 23.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.58 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.1 t70 -105.83 36.49 2.53 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 46.7 pttt -69.11 -49.17 59.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 111.568 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.556 ' N ' ' HG3' ' A' ' 52' ' ' LYS . 22.0 t70 -115.87 20.01 14.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HG2' HG12 ' A' ' 58' ' ' ILE . 1.9 tppp? -80.68 3.64 21.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.716 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 9.0 t 82.1 4.82 1.18 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 178.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.59 -14.1 60.79 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.186 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 57' ' ' PHE . 2.9 p90 -141.97 133.39 26.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 0.0 110.077 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 66' ' ' ILE . 2.9 mt -101.65 145.61 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.191 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.2 122.78 42.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.095 0.95 . . . . 0.0 111.7 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HB2' HG23 ' A' ' 82' ' ' THR . 3.1 pt-20 -36.82 -33.21 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.585 -1.643 . . . . 0.0 112.226 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 15.3 m-20 -70.95 -53.5 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 111.447 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -78.02 -19.99 53.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.143 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -47.5 -47.36 27.58 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.511 -179.568 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.424 ' HA2' HD23 ' A' ' 77' ' ' LEU . . . -52.1 -36.03 42.88 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.348 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 t -75.79 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.269 0.557 . . . . 0.0 110.057 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.597 HG21 HG21 ' A' ' 58' ' ' ILE . 7.3 tp -61.45 -15.75 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.439 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.886 HD12 HD12 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -51.61 -25.53 7.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.971 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -48.82 -21.99 0.74 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.013 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.6 -54.4 6.6 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.273 -0.965 . . . . 0.0 111.186 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.62 ' O ' HD13 ' A' ' 15' ' ' ILE . 1.5 p90 -98.08 -43.74 6.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.571 0.701 . . . . 0.0 109.388 177.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' ALA . 96.0 p -70.95 2.07 4.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.776 -177.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.7 p -45.76 -24.47 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.835 -0.541 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.547 ' HB2' HG22 ' A' ' 15' ' ' ILE . 3.9 m-20 -94.16 -27.25 16.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.002 0.43 . . . . 0.0 110.598 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -93.94 -156.84 0.51 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.25 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -100.11 -84.31 0.42 Allowed 'General case' 0 C--O 1.231 0.101 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -175.78 -169.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.819 0.342 . . . . 0.0 111.113 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.578 HD23 HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -103.82 136.53 43.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.731 -179.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.5 m -106.78 -173.62 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.62 -50.83 31.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -51.12 -53.81 30.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -72.32 -25.63 61.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 60' ' ' GLU . 95.1 m -62.6 -49.81 73.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 14.9 mtpt -76.66 -29.0 56.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.19 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 42.9 m -88.7 -57.72 2.81 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 26' ' ' HIS . 34.6 tp -74.44 -48.88 24.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -176.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.483 ' CE ' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mmm -75.26 -53.62 8.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.379 -0.528 . . . . 0.0 112.027 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -64.35 -25.16 67.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.527 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' THR . . . -82.85 -39.82 21.13 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.342 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.724 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -69.07 -38.88 84.35 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.76 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.497 ' HA ' ' CG ' ' A' ' 101' ' ' GLU . 4.2 p30 -92.12 39.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.364 -0.418 . . . . 0.0 110.482 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.647 ' CG ' HG21 ' A' ' 104' ' ' THR . 0.2 OUTLIER -30.71 -28.71 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.362 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASP . 12.7 t70 -56.51 -21.05 23.41 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.776 -0.577 . . . . 0.0 109.617 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 10.19 63.45 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 116.097 -0.501 . . . . 0.0 113.782 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -72.45 -6.05 40.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.185 0.492 . . . . 0.0 110.966 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.46 24.86 68.07 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.165 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 58' ' ' ILE . 50.1 mttp -145.18 139.34 27.16 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.067 0.46 . . . . 0.0 110.669 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.512 HD13 HD13 ' A' ' 105' ' ' LEU . 25.5 mt -106.78 112.06 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.292 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 57' ' ' PHE . . . -110.88 170.3 13.81 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 178.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.473 ' N ' ' CE2' ' A' ' 47' ' ' PHE . 14.6 p -46.72 -29.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 117.104 0.452 . . . . 0.0 111.244 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 101' ' ' GLU . 11.7 pt-20 -72.65 -51.99 17.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.275 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.497 ' CG ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -73.04 -23.0 60.54 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.193 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 106' ' ' VAL . 1.9 t80 -52.1 -31.61 31.48 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.3 0.571 . . . . 0.0 109.857 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 93.0 p -71.08 -31.17 67.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.647 HG21 ' CG ' ' A' ' 91' ' ' LYS . 2.9 m -68.48 -48.48 64.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.749 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.724 HD22 ' HA3' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -59.62 -38.51 81.49 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.529 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 102' ' ' PHE . 87.2 t -54.1 -29.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.968 0.413 . . . . 0.0 109.919 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.62 34.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.386 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -70.38 0.14 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.964 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.435 ' OG ' ' CG ' ' A' ' 31' ' ' GLN . 6.3 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.333 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 2' ' ' MET . 47.2 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.541 0.21 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.529 ' HB2' HG23 ' A' ' 46' ' ' VAL . 15.2 ttp 84.89 -41.29 0.06 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.757 0.423 . . . . 0.0 111.875 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.0 m -65.78 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.11 0.481 . . . . 0.0 110.586 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.76 -25.7 21.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.483 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' CD1' ' CB ' ' A' ' 45' ' ' LYS . 23.3 mt -84.25 -64.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.586 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.835 ' CD2' HG12 ' A' ' 43' ' ' VAL . 62.7 mt -75.43 145.66 41.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.524 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.0 p -50.05 110.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.396 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.91 89.8 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 28.8 tt0 -64.54 -46.91 80.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.155 0.502 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 32' ' ' MET . 1.2 m-20 -55.55 -54.54 42.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.124 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 6' ' ' LEU . 15.4 mt -57.01 -53.57 41.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.683 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -53.21 -50.78 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.95 0.405 . . . . 0.0 110.756 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.2 mtpm? -66.02 -51.77 55.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.382 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . . . -62.57 -42.36 99.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.179 0.514 . . . . 0.0 111.615 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 73' ' ' ASP . 5.4 mm -54.67 -51.96 46.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.26 -3.44 61.59 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.58 -0.819 . . . . 0.0 114.641 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . -82.81 -29.09 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.719 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -117.08 120.48 38.46 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.56 -0.456 . . . . 0.0 112.144 -178.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 9.2 t -91.83 -34.22 14.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.213 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' ' 23' ' ' SER . . . -97.97 -45.5 6.25 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.816 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB3' ' CB ' ' A' ' 18' ' ' PHE . . . -43.76 -66.79 0.34 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' OD2' ' CD2' ' A' ' 29' ' ' PHE . 4.4 t70 -61.97 -19.03 62.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.884 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -72.0 -56.21 6.06 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.631 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 20' ' ' ALA . 42.0 p90 -95.77 -18.53 20.35 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.408 ' OD2' ' HD2' ' A' ' 28' ' ' LYS . 24.2 t0 -164.13 96.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.248 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -71.17 -20.24 62.31 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.63 179.154 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -45.49 -49.39 13.66 Favored 'General case' 0 C--N 1.34 0.194 0 O-C-N 121.87 -0.519 . . . . 0.0 110.378 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -60.63 -50.5 73.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 177.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' ' ND1' ' A' ' 26' ' ' HIS . 2.1 t80 -54.16 -28.64 41.52 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.414 178.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.901 ' CE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.45 -26.92 68.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.186 178.293 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.547 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 50.9 mt-30 -85.01 -42.51 14.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.491 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 5.1 mmt -69.51 -35.47 75.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.757 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.961 HG11 HD12 ' A' ' 35' ' ' LEU . 14.2 p -66.46 -20.42 27.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.697 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.39 31.97 44.4 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.597 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.961 HD12 HG11 ' A' ' 33' ' ' VAL . 3.5 mt -70.5 -27.34 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.154 0.502 . . . . 0.0 109.932 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' NZ ' ' HA ' ' A' ' 31' ' ' GLN . 1.1 mtmm -94.48 -4.96 47.19 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.261 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -43.41 -76.58 0.02 OUTLIER 'General case' 0 C--N 1.344 0.333 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -75.22 -96.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.899 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.9 p -146.11 167.64 22.91 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.783 0.325 . . . . 0.0 110.682 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HB1' ' CB ' ' A' ' 103' ' ' SER . . . -61.56 -21.18 64.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.814 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 9.8 m-20 -71.17 -51.51 24.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.082 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -51.89 -46.04 64.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.214 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.835 HG12 ' CD2' ' A' ' 6' ' ' LEU . 21.5 m -71.09 -41.42 76.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.582 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' N ' HG23 ' A' ' 43' ' ' VAL . 10.5 ttpt -53.86 -28.41 35.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.619 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CB ' ' CD1' ' A' ' 5' ' ' LEU . 5.9 mptp? -58.15 -46.52 85.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.456 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 43' ' ' VAL . 3.7 p -52.92 -27.09 12.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.248 0.547 . . . . 0.0 109.83 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE2' ' HB ' ' A' ' 99' ' ' VAL . 34.4 t80 -46.42 -51.31 15.33 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.485 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -70.29 -30.97 68.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.071 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' CG1' ' HA ' ' A' ' 46' ' ' VAL . 38.9 mm -61.29 -48.74 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.89 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 66' ' ' ILE . 4.2 pp -87.33 -33.92 19.03 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.28 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 14.9 t70 -84.29 10.49 10.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HD2' ' HB2' ' A' ' 53' ' ' ASP . 3.6 pptp? -54.14 -39.19 66.27 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.166 -0.213 . . . . 0.0 111.447 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 22.7 t70 -115.14 26.0 10.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HE3' ' CG ' ' A' ' 62' ' ' GLU . 35.0 mmtm -105.18 1.71 28.51 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 54' ' ' LYS . 21.0 t 73.71 13.96 4.26 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.26 -2.57 54.43 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.287 -0.959 . . . . 0.0 113.987 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 55.2 m-85 -145.64 141.87 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.295 0.547 . . . . 0.0 111.625 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -105.73 128.87 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.471 178.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' HG2' ' CD ' ' A' ' 96' ' ' LYS . 5.5 mt-10 -102.9 129.4 49.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.609 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.713 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -35.31 -37.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.936 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -67.06 -51.55 53.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' CG ' ' HE3' ' A' ' 54' ' ' LYS . 7.1 tp10 -77.46 -20.98 53.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.617 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.681 HD12 HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -47.8 -48.03 30.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.945 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.61 77.53 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 22.6 t -77.71 -56.88 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.359 0.599 . . . . 0.0 109.926 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.499 HG21 ' CG2' ' A' ' 58' ' ' ILE . 5.5 tp -59.33 -20.43 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.741 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.777 HD11 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -47.12 -28.31 1.73 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.189 0.518 . . . . 0.0 111.413 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 65' ' ' SER . 47.6 mmtm -48.3 -20.61 0.41 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.339 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -47.1 -57.43 7.03 Favored Glycine 0 C--N 1.336 0.567 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.721 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.501 ' CZ ' ' HG ' ' A' ' 67' ' ' LEU . 7.6 p90 -98.04 -36.45 10.11 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.851 0.834 . . . . 0.0 108.907 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.514 ' HA ' HD12 ' A' ' 15' ' ' ILE . 37.4 t -73.57 2.68 7.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 113.946 -1.479 . . . . 0.0 113.14 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 13.2 t -44.58 -25.34 0.26 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.046 -0.408 . . . . 0.0 111.879 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.709 ' HB2' HG21 ' A' ' 15' ' ' ILE . 5.4 m-20 -122.36 22.51 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.004 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.687 ' HB2' HG23 ' A' ' 15' ' ' ILE . . . -123.36 -157.28 0.74 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 19' ' ' THR . 11.1 mpt_? -94.46 -96.34 0.16 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 121.214 -0.195 . . . . 0.0 111.233 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.56 ' HA ' HD22 ' A' ' 67' ' ' LEU . 1.9 p-10 168.83 177.31 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.199 0.523 . . . . 0.0 111.877 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.777 HD22 HD11 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -88.25 115.41 25.73 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.215 179.251 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.6 m -92.79 -175.65 3.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.361 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.57 24.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.393 0.616 . . . . 0.0 110.481 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 84' ' ' THR . 60.2 tttp -56.89 -50.45 72.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.635 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.8 mm-40 -68.27 -31.89 71.67 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.74 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.713 HG22 ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -61.2 -49.96 75.06 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.214 -0.995 . . . . 0.0 108.738 178.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.904 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 30.3 mmmt -76.2 -27.11 56.74 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.788 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.478 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 85.1 m -88.61 -58.12 2.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.633 HD23 HD21 ' A' ' 77' ' ' LEU . 15.6 tp -80.98 -50.41 9.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.41 ' HG3' ' HA ' ' A' ' 60' ' ' GLU . 3.7 tmm? -67.24 -48.13 68.72 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.774 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.904 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -64.33 -38.41 90.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.615 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' O ' ' HD2' ' A' ' 91' ' ' LYS . . . -67.29 -66.45 0.56 Allowed 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.606 ' CA ' ' HB2' ' A' ' 105' ' ' LEU . . . -43.86 -32.04 2.11 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-O 121.768 0.649 . . . . 0.0 112.141 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' HA ' ' CD ' ' A' ' 101' ' ' GLU . 35.0 t70 -96.0 41.11 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.086 -1.057 . . . . 0.0 112.878 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.535 ' CE ' HG22 ' A' ' 104' ' ' THR . 1.6 mptp? -26.65 -41.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.483 0.713 . . . . 0.0 112.604 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 90' ' ' ASP . 16.4 m-20 -54.01 -16.24 1.82 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.426 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 66.18 42.52 94.28 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.486 -0.388 . . . . 0.0 113.157 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.424 ' O ' ' CE ' ' A' ' 96' ' ' LYS . 11.1 m-20 -96.84 -6.34 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.73 14.65 81.21 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.952 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.475 ' CD ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -158.01 152.42 24.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.205 -179.002 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.4 mt -104.14 111.98 35.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.248 178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.27 167.42 26.27 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.519 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.488 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 11.4 p -47.59 -38.42 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.832 0.316 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.426 ' OE2' ' CG ' ' A' ' 101' ' ' GLU . 2.9 pp20? -71.73 -45.37 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.484 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.474 ' OE1' HG21 ' A' ' 104' ' ' THR . 2.8 mm-40 -75.01 -22.8 58.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.333 . . . . 0.0 111.214 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.485 ' O ' HD12 ' A' ' 105' ' ' LEU . 20.7 t80 -52.18 -36.53 52.01 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.187 0.518 . . . . 0.0 109.787 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.485 ' CB ' ' HB1' ' A' ' 40' ' ' ALA . 15.4 m -78.08 -30.32 49.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.95 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.535 HG22 ' CE ' ' A' ' 91' ' ' LYS . 98.5 m -56.62 -47.66 79.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.179 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.77 -23.27 66.06 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.992 179.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.862 ' N ' HD13 ' A' ' 105' ' ' LEU . 86.2 t -57.75 -31.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.38 -31.85 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.181 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HG2' ' HE2' ' A' ' 91' ' ' LYS . 6.9 mm-40 -52.13 -72.24 0.06 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.668 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 30' ' ' PHE . 26.8 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 stop_ save_